@comment{ Rex Godby's Publications and Other Publications of the Research Group, in BibTeX format. Master version at . This list is intended to mirror the content of the main HTML list at . I favour an unconventional - but fully BibTeX-compliant - format, with a single line per item. Various tools are available to reformat BibTeX files, if you prefer an alternative format, or you could make a start with the quick Perl command perl -pe 's/, title=/,\n\ttitle=/; s/}, /},\n\t/g' rwg_publications.bib > new.bib Templates for new entries: see end of file. Links to external databases: My ResearcherID.com profile: My Google Scholar profile: This BibTeX file last updated: Sep 2023 (accented letters converted to UTF-8 and other tidying) A DOI field (a universal and permanent identifier) is provided for all publications, where available. DOIs can be resolved to journals' web sites using a URL where xxxxxx is the DOI (with or without the "doi:" prefix). Also, DOIs can be converted to BibTeX entries (slightly more complete than those in this file) using a URL where xxxxx is the DOI (without the "doi:" prefix) } @article{rwg01, title={Local orbital analysis of the bonding of oxygen atoms on nickel (001) from self-consistent electronic structure}, author={R. W. Godby and G. A. Benesh and R. Haydock and V. Heine}, journal={Physical Review B}, volume={32}, pages={655}, year={1985}, url={https://link.aps.org/abstract/PRB/v32/p655}, doi={10.1103/PhysRevB.32.655}} @article{rwg02, title={Charge transfer effects in oxygen chemisorption on nickel (001)}, author={R. W. Godby}, journal={Physical Review B}, volume={32}, pages={5432}, year={1985}, url={https://link.aps.org/abstract/PRB/v32/p5432}, doi={10.1103/PhysRevB.32.5432}} @article{rwg03, title={Local orbital analysis of oxygen-oxygen interaction on nickel (001) from self-consistent electronic structure}, author={R. W. Godby}, journal={Physical Review B}, volume={32}, pages={7641}, year={1985}, url={https://link.aps.org/abstract/PRB/v32/p7641}, doi={10.1103/PhysRevB.32.7641}} @article{rwg04, title={Breakdown of atomic superposition for the helium scattering potential of oxygen on nickel (001)}, author={R. W. Godby and N. Garcia}, journal={Surface Science},volume={163}, pages={L681}, year={1985}, url={https://dx.doi.org/10.1016/0039-6028(85)91046-5}, doi={10.1016/0039-6028(85)91046-5}} @article{rwg05, title={Accurate exchange-correlation potential for silicon and its discontinuity on addition of an electron}, author={R. W. Godby and M. Schlüter and L. J. Sham}, journal={Physical Review Letters}, volume={56}, pages={2415}, year={1986}, url={https://link.aps.org/abstract/PRL/v56/p2415}, doi={10.1103/PhysRevLett.56.2415}} @inproceedings{rwg06, title={Accurate exchange-correlation potentials for semiconductors and their connections with the quasiparticle energies}, author={R. W. Godby and M. Schlüter and L. J. Sham}, booktitle={Proceedings of the 18th International Conference on the Physics of Semiconductors (Stockholm, 1986)}, editor={}, publisher={World Scientific Publishing}, address={Singapore}, year={1987}, url={}, doi={}, ISBN={997150197X}} @article{rwg07, title={Quasiparticle energies in {GaAs} and {AlAs}}, author={R. W. Godby and M. Schlüter and L. J. Sham}, journal={Physical Review B Rapid Communications}, volume={35}, pages={4170}, year={1987}, url={https://link.aps.org/abstract/PRB/v35/p4170}, doi={10.1103/PhysRevB.35.4170}} @article{rwg08, title={Trends in self-energy operators and their corresponding exchange-correlation potentials}, author={R. W. Godby and M. Schlüter and L. J. Sham}, journal={Physical Review B}, volume={36}, pages={6497}, year={1987}, url={https://link.aps.org/abstract/PRB/v36/p6497}, doi={10.1103/PhysRevB.36.6497}} @article{rwg09, title={Self-energy operators and exchange-correlation potentials in semiconductors}, author={R. W. Godby and M. Schlüter and L. J. Sham}, journal={Physical Review B}, volume={37}, pages={10159}, year={1988}, url={https://link.aps.org/abstract/PRB/v37/p10159}, doi={10.1103/PhysRevB.37.10159}} @article{rwg10, title={The metal-insulator transition in quasiparticle theory and {Kohn-Sham} theory}, author={R. W. Godby and R. J. Needs}, journal={Physical Review Letters}, volume={62}, pages={1169}, year={1989}, url={https://link.aps.org/abstract/PRL/v62/p1169}, doi={10.1103/PhysRevLett.62.1169}} @article{rwg11, title={Exchange and correlation in {Schottky} barriers and heterojunctions}, author={R. W. Godby and L. J. Sham and M. Schlüter}, journal={Physical Review Letters}, volume={65}, pages={2083}, year={1990}, url={https://link.aps.org/abstract/PRL/v65/p2083}, doi={10.1103/PhysRevLett.65.2083 }} @article{rwg12, title={Band structures for excited state spectroscopies}, author={R. W. Godby and R. J. Needs}, journal={Physica Scripta T}, volume={31}, pages={227}, year={1990}, url={https://dx.doi.org/10.1088/0031-8949/1990/T31/031}, doi={10.1088/0031-8949/1990/T31/031}} @article{rwg13, title={Materials under the mathematical microscope}, author={R. W. Godby and R. J. Needs and M. C. Payne}, journal={Physics World}, issue={October 1990}, pages={39},year={1990}, url={https://dx.doi.org/10.1088/2058-7058/3/10/21}, doi={10.1088/2058-7058/3/10/21}} @article{rwg14, title={Tailoring materials for quantum wells: band offsets at (001)-oriented {GaAs/(AlAs)}$_n$({GaAs})$_m$ interfaces}, author={K. Karlsson and R. J. Needs and A. Qteish and R. W. Godby}, journal={Journal of Physics Condensed Matter (Letters)}, volume={2}, pages={5265}, year={1990}, url={https://dx.doi.org/10.1088/0953-8984/2/23/018}, doi={10.1088/0953-8984/2/23/018}} @inproceedings{rwg15, title={A many-body approach to the calculation of the ground-state total energy of semiconductors}, author={B. Farid and R. W. Godby and R. J. Needs, Proceedings of the 20th International Conference on the Physics of Semiconductors (Thessaloniki, 1990)}, booktitle={Proceedings of the 20th International Conference on the Physics of Semiconductors (Thessaloniki, 1990)}, editor={}, publisher={World Scientific Publishing}, address={Singapore}, year={1990}, doi={}, ISBN={9810205392}} @inproceedings{rwg16, title={Electron correlation in electronic structure calculations}, author={J. P. A. Charlesworth and A. Oschlies and R. W. Godby and R. J. Needs and L. J. Sham}, booktitle={Proceedings of the 20th International Conference on the Physics of Semiconductors (Thessaloniki, 1990)}, editor={}, publisher={World Scientific Publishing}, address={Singapore}, year={1990}, doi={}} @article{rwg17, title={Cohesive energies of crystals}, author={B. Farid and R. W. Godby}, journal={Physical Review B}, volume={43}, pages={14248}, year={1991}, url={https://link.aps.org/abstract/PRB/v43/p14248}, doi={10.1103/PhysRevB.43.14248}} @incollection{rwg18, title={Exchange and correlation in solids}, author={R. W. Godby}, booktitle={Unoccupied electronic states ({Topics in Applied Physics, Vol. 69})}, editor={J. E. Inglesfield and J. Fuggle}, publisher={Springer}, address={}, year={1992}, url={https://doi.org/10.1007/3540541624\_13}, doi={10.1007/3540541624\_13}} @article{rwg19, title={First-principles self-energy calculations of carrier-induced band gap narrowing in silicon}, author={A. Oschlies and R. W. Godby and R. J. Needs}, journal={Physical Review B Rapid Communications}, volume={45}, pages={13741}, year={1992}, url={}, doi={10.1103/PhysRevB.45.13741}} @article{rwg20, title={Investigating exact density-functional theory of a model semiconductor}, author={W. Knorr and R. W. Godby}, journal={Physical Review Letters}, volume={68}, pages={639}, year={1992}, url={https://link.aps.org/abstract/PRL/v68/p639}, doi={10.1103/PhysRevLett.68.639}} @article{rwg21, title={Electronic excitation energies in {Schottky} barriers}, author={J. P. A. Charlesworth and R. W. Godby and R. J. Needs and L. J. Sham}, journal={Materials Science and Engineering (B)}, volume={14}, pages={262}, year={1992}, doi={10.1016/0921-5107(92)90308-V}} @inproceedings{rwg22, title={Electronic structure with self-energy corrections for gallium nitride}, author={M. Palummo and L. Reining and R. W. Godby and C. M. Bertoni}, booktitle={Proceedings of the 21st International Conference on the Physics of Semiconductors (Beijing, 1992)}, editor={}, publisher={World Scientific Publishing}, address={Singapore}, year={1993}, doi={}, ISBN={9810211562}} @article{rwg23, title={First-principles calculations of many-body band-gap narrowing at an {Al/GaAs(110)} interface}, author={J. P. A. Charlesworth and R. W. Godby and R. J. Needs}, journal={Physical Review Letters}, volume={70}, pages={1685}, year={1993}, url={https://link.aps.org/abstract/PRL/v70/p1685}, doi={10.1103/PhysRevLett.70.1685}} @article{rwg24, title={Surface diffusion on a stepped surface}, author={A. Natori and R. W. Godby}, journal={Physical Review B}, volume={47}, pages={15816}, year={1993}, url={https://link.aps.org/abstract/PRB/v47/p15816}, doi={10.1103/PhysRevB.47.15816}} @article{rwg25, title={First-principles study of the effects of interface structure on the {Schottky} barrier height of the {GaAs(110)/Al} interface}, author={R. J. Needs and J. P. A. Charlesworth and R. W. Godby}, journal={Europhysics Letters}, volume={25}, pages={31}, year={1994}, url={https://dx.doi.org/10.1209/0295-5075/25/1/006}, doi={10.1209/0295-5075/25/1/006}} @article{rwg26, title={Exchange-correlation potentials at semiconductor interfaces}, author={R. W. Godby and L. J. Sham}, journal={Physical Review B}, volume={49}, pages={1849}, year={1994}, url={https://link.aps.org/abstract/PRB/v49/p1849}, doi={10.1103/PhysRevB.49.1849}} @article{rwg27, title={The {$GW\Gamma$} approach to electron self-energies in semiconductors and insulators}, author={R. Del Sole and L. Reining and R. W. Godby}, journal={Physical Review B}, volume={49}, pages={8024}, year={1994}, url={https://link.aps.org/abstract/PRB/v49/p8024}, doi={10.1103/PhysRevB.49.8024}} @article{rwg28, title={{\it Ab initio} calculations of the dynamic response of beryllium}, author={N. E. Maddocks and R. W. Godby and R. J. Needs}, journal={Physical Review B (Rapid Communications)}, volume={49}, pages={8502}, year={1994}, url={https://link.aps.org/abstract/PRB/v49/p8502}, doi={10.1103/PhysRevB.49.8502}} @article{rwg29, title={Electronic structure of cubic {GaN} with self-energy corrections}, author={M. Palummo and L. Reining and R. W. Godby and C. M. Bertoni and Nils Börnsen}, journal={Europhysics Letters}, volume={26}, pages={607}, year={1994}, url={https://dx.doi.org/10.1209/0295-5075/26/8/009}, doi={10.1209/0295-5075/26/8/009}} @article{rwg30, title={A quantum {Monte Carlo} study of density-functional theory for a semiconducting wire}, author={W. Knorr and R. W. Godby}, journal={Physical Review B.}, volume={50}, pages={1779}, year={1994}, url={https://link.aps.org/abstract/PRB/v50/p1779}, doi={10.1103/PhysRevB.50.1779}} @article{rwg31, title={Band structure effects in the dynamic response of aluminium}, author={N. E. Maddocks and R. W. Godby and R. J. Needs}, journal={Europhysics Letters}, volume={27}, pages={681}, year={1994}, url={https://dx.doi.org/10.1209/0295-5075/27/9/008}, doi={10.1209/0295-5075/27/9/008}} @article{rwg32, title={Evaluation of {{\it GW}} approximations for the self-energy of a {Hubbard} cluster}, author={C. Verdozzi and R. W. Godby and S. Holloway}, journal={Physical Review Letters}, volume={74}, pages={2327}, year={1995}, url={https://link.aps.org/abstract/PRL/v74/p2327}, doi={10.1103/PhysRevLett.74.2327}} @article{rwg33, title={{{\it GW}} self-energy calculations of carrier-induced band-gap narrowing in n-type silicon}, author={A. Oschlies and R. W. Godby and R. J. Needs}, journal={Physical Review B}, volume={51}, pages={1527}, year={1995}, url={https://link.aps.org/abstract/PRB/v51/p1527}, doi={10.1103/PhysRevB.51.1527}} @article{rwg34, title={Space-time method for {\it ab initio} calculations of self-energies and dielectric response functions of solids}, author={H. N. Rojas and R. W. Godby and R. J. Needs}, journal={Physical Review Letters}, volume={74}, pages={1827}, year={1995}, url={https://link.aps.org/abstract/PRL/v74/p1827}, doi={10.1103/PhysRevLett.74.1827}} @article{rwg35, title={Charge-transfer excitations in the cuprate superconductors}, author={Z. Dadachanji and R. W. Godby and R. J. Needs and P. B. Littlewood}, journal={Physical Review B}, volume={52}, pages={16204-7}, year={1995}, url={https://link.aps.org/abstract/PRB/v52/p16204}, doi={10.1103/PhysRevB.52.16204}} @article{rwg36, title={Density-polarisation functional theory of the response of a periodic insulating solid to an electric field}, author={X. Gonze and P. Ghosez and R. W. Godby}, journal={Physical Review Letters}, volume={74}, pages={4035}, year={1995}, url={https://link.aps.org/abstract/PRL/v74/p4035}, doi={10.1103/PhysRevLett.74.4035}, eprint={arXiv:mtrl-th/9501006}} @article{rwg37, title={Density-functional theory and the $v$-representability problem for model strongly correlated electron-systems}, author={A. Schindlmayr and R. W. Godby}, journal={Physical Review B}, volume={51}, pages={10427}, year={1995}, url={https://link.aps.org/abstract/PRB/v51/p10427}, doi={10.1103/PhysRevB.51.10427}, eprint={arXiv:cond-mat/9709266}} @article{rwg38, title={{\it Ab initio} calculations of the quasiparticle and absorption spectra of clusters: the sodium tetrameter}, author={G. Onida and L. Reining and R. W. Godby and R. Del Sole and W. Andreoni}, journal={Physical Review Letters}, volume={75}, pages={818}, year={1995}, url={https://link.aps.org/abstract/PRL/v75/p818}, doi={10.1103/PhysRevLett.75.818}} @article{rwg39, title={Density-functional theory of polar insulators}, author={X. Gonze and P. Ghosez and R. W. Godby}, journal={Physical Review Letters}, volume={78}, pages={294}, year={1997}, url={https://link.aps.org/abstract/PRL/v78/p294}, doi={10.1103/PhysRevLett.78.294}, eprint={arXiv:cond-mat/9611234}} @article{rwg40, title={Elimination of unoccupied state summations in {\it ab initio} self-energy calculations for large supercells}, author={L. Reining and G. Onida and R. W. Godby}, journal={Physical Review B (Rapid Communications)}, volume={56}, pages={R4301}, year={1997}, url={https://link.aps.org/abstract/PRB/v56/p4301}, doi={10.1103/PhysRevB.56.R4301}, eprint={arXiv:cond-mat/9803228}} @article{rwg41, title={Assessment of the {\it GW} Approximation using {Hubbard} Chains}, author={Thomas J. Pollehn and Arno Schindlmayr and R. W. Godby}, journal={Journal of Physics: Condensed Matter}, volume={10}, pages={1273-1283}, year={1998}, url={https://dx.doi.org/10.1088/0953-8984/10/6/011}, doi={10.1088/0953-8984/10/6/011}, eprint={arXiv:cond-mat/9711120}} @article{rwg42, title={Polarization-dependence of the exchange energy}, author={X. Gonze and P. Ghosez and R. W. Godby}, journal={Physical Review Letters}, volume={78}, pages={2029}, year={1997}, url={https://link.aps.org/abstract/PRL/v78/p2029}, doi={10.1103/PhysRevLett.78.2029}} @article{rwg43, title={Electronic structure multiconfiguration calculation of a small cluster embedded in an {LDA} host}, author={I. V. Abarenkov and V. L. Bulatov and R. W. Godby and V. Heine and M. C. Payne and P. A. Souchko and A. V. Titov and I. I. Tupitsyn}, journal={Physical Review B}, volume={56}, pages={1743}, year={1997}, url={https://link.aps.org/abstract/PRB/v56/p1743}, doi={10.1103/PhysRevB.56.1743}} @article{rwg44, title={The long-wavelength behaviour of the exchange-correlation kernel in the {Kohn-Sham} theory of periodic systems}, author={P. Ghosez and X. Gonze and R. W. Godby}, journal={Physical Review B}, volume={56}, pages={12811-12817}, year={1997}, url={https://link.aps.org/abstract/PRB/v56/p12811}, eprint={arXiv:cond-mat/9706279}, doi={10.1103/PhysRevB.56.12811}} @article{rwg45, title={Supercell technique for total-energy calculations of finite charged and polar systems}, author={M. R. Jarvis and I. D. White and R. W. Godby and M. C. Payne}, journal={Physical Review B}, volume={56}, pages={14972-8}, year={1997}, url={https://link.aps.org/abstract/PRB/v56/p14972}, eprint={arXiv:cond-mat/9709234}, doi={10.1103/PhysRevB.56.14972}} @article{rwg46, title={Systematic vertex corrections through iterative solution of {Hedin's} equations beyond the {\it GW} approximation}, author={A. Schindlmayr and R. W. Godby}, journal={Physical Review Letters}, volume={80}, pages={1702}, year={1998}, url={https://link.aps.org/abstract/PRL/v80/p1702}, eprint={arXiv:cond-mat/9710295}, doi={10.1103/PhysRevLett.80.1702}} @article{rwg47, title={Density-relaxation part of the self energy}, author={R. W. Godby and I. D. White}, journal={Physical Review Letters}, volume={80}, pages={3161}, year={1998}, url={https://link.aps.org/abstract/PRL/v80/p3161}, eprint={arXiv:cond-mat/9710129}, doi={10.1103/PhysRevLett.80.3161}} @article{rwg48, title={Influence of dynamics on magic numbers for silicon clusters}, author={A. R. Porter and R. W. Godby}, journal={physics/9711005}, eprint={arXiv:physics/9711005}, doi={}, year={1997}} @article{rwg49, title={Dynamic image potential at an {Al(111)} surface}, author={I. D. White and R. W. Godby and M. M. Rieger and R. J. Needs}, journal={Physical Review Letters}, volume={80}, pages={4265-8}, year={1998}, url={https://link.aps.org/abstract/PRL/v80/p4265}, doi={10.1103/PhysRevLett.80.4265}, eprint={arXiv:cond-mat/9711245}} @article{rwg50, title={The charge density of semiconductors in the {{\it GW}} approximation}, author={Martin M. Rieger and R. W. Godby}, journal={Physical Review B}, volume={58}, pages={1343}, year={1998}, url={https://link.aps.org/abstract/PRB/v58/p1343}, doi={10.1103/PhysRevB.58.1343}, eprint={arXiv:cond-mat/9801021}} @article{rwg51, title={The {{\it GW}} space-time method for the self-energy of large systems}, author={Martin M. Rieger and L. Steinbeck and I. D. White and H. N. Rojas and R. W. Godby}, journal={Computer Physics Communications}, volume={117}, pages={211-228}, year={1999}, url={https://dx.doi.org/10.1016/S0010-4655(98)00174-X}, doi={10.1016/S0010-4655(98)00174-X}, eprint={arXiv:cond-mat/9805246}} @article{rwg52, title={Spectra and total energies from self-consistent many-body perturbation theory}, author={Arno Schindlmayr and Thomas J. Pollehn and R. W. Godby}, journal={Physical Review B}, volume={58}, pages={12684-90}, year={1998}, url={https://link.aps.org/abstract/PRB/v58/p12684}, doi={10.1103/PhysRevB.58.12684}, eprint={arXiv:cond-mat/9806121}} @article{rwg53, title={Enhancements to the {{\it GW}} space-time method}, author={L. Steinbeck and A. Rubio and L. Reining and M. Torrent and I. D. White and R. W. Godby}, journal={Computer Physics Communications}, volume={125}, pages={105-118}, year={2000}, url={https://dx.doi.org/10.1016/S0010-4655(99)00466-X}, doi={10.1016/S0010-4655(99)00466-X}, eprint={arXiv:cond-mat/9908372}} @article{rwg54, title={Self-consistent calculation of total energies of the electron gas using many-body perturbation theory}, author={P. García-González and R. W. Godby}, journal={Physical Review B}, volume={63}, pages={075112}, numpages={4}, year={2001}, url={https://link.aps.org/abstract/PRB/v63/e075112}, doi={10.1103/PhysRevB.63.075112}, eprint={arXiv:cond-mat/0012090}} @article{rwg55, title={Efficient total energy calculations from self-energy models}, author={Paula Sánchez-Friera and R. W. Godby}, journal={Physical Review Letters}, volume={85}, pages={5611-5614}, year={2000}, url={https://publish.aps.org/abstract/PRL/v85/p5611/}, doi={10.1103/PhysRevLett.85.5611}, eprint={arXiv:cond-mat/0012111}} @article{rwg56, title={{{\it GW}} self-energy calculations for surfaces and interfaces (review in special CCP3 issue)}, author={P. García-González and R. W. Godby}, journal={Computer Physics Communications}, volume={137}, pages={108-122}, year={2001}, url={https://dx.doi.org/10.1016/S0010-4655(01)00174-6}, doi={10.1016/S0010-4655(01)00174-6}} @article{rwg57, title={Diagrammatic self-energy approximations and the total particle number}, author={Arno Schindlmayr and P. García-González and R. W. Godby}, journal={Physical Review B}, volume={64}, pages={235106}, numpages={6}, year={2001}, url={https://publish.aps.org/abstract/PRB/v64/e235106}, doi={10.1103/PhysRevB.64.235106}, eprint={arXiv:cond-mat/0110435}} @article{rwg58, title={Many-body {{\it GW}} calculations of ground-state properties: quasi-{2D} electron systems and van der {Waals} forces}, author={P. García-González and R. W. Godby}, journal={Physical Review Letters}, volume={88}, pages={056406}, numpages={4}, year={2002}, url={https://link.aps.org/abstract/PRL/v88/e056406}, doi={10.1103/PhysRevLett.88.056406}} @article{rwg59, title={Image resonance in the many-body density of states at a metal surface}, author={G. Fratesi and G. P. Brivio and P. Rinke and R. W. Godby}, journal={Physical Review B}, volume={68}, pages={195404}, numpages={5}, year={2003}, url={https://link.aps.org/abstract/PRB/v68/e195404}, doi={10.1103/PhysRevB.68.195404}, eprint={arXiv:cond-mat/0111089}} @article{rwg60, title={Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory}, author={Silvana Botti and Francesco Sottile and Nathalie Vast and Valerio Olevano and Lucia Reining and Hans-Christian Weißker and Angel Rubio and Giovanni Onida and Rodolfo Del Sole and R. W. Godby}, journal={Physical Review B}, volume={69}, pages={155112}, numpages={14}, year={2004}, url={https://link.aps.org/abstract/PRB/v69/e155112}, doi={10.1103/PhysRevB.69.155112}} @article{rwg61, title={Maximum-entropy theory of steady-state quantum transport}, author={P. Bokes and R. W. Godby}, journal={Physical Review B}, volume={68}, pages={125414}, numpages={5}, year={2003}, url={https://link.aps.org/abstract/PRB/v68/e125414}, doi={10.1103/PhysRevB.68.125414}, eprint={arXiv:cond-mat/0301485}, note={Erratum: Physical Review B 72 199904(E) (2005) (1 page); https://link.aps.org/abstract/PRB/v72/e199904.}} @incollection{rwg62, title={Density functional theories and self-energy approaches}, author={R. W. Godby and P. García-González}, booktitle={A Primer in Density Functional Theory (Lecture Notes in Physics vol. 620)}, editor={Carlos Fiolhais and Fernando Nogueira and M. A. L. Marques}, publisher={Springer}, address={Heidelberg}, year={2003}, isbn={978-3-540-03083-6}, url={https://doi.org/10.1007/3-540-37072-2\_5}, doi={10.1007/3-540-37072-2\_5}} @article{rwg63, title={Comment on ``Band-gap problem in semiconductors revisited: effects of core states and many-body self-consistency''}, author={Kris~Delaney and P.~García-González and Angel~Rubio and Patrick~Rinke and R. W. Godby}, journal={Physical Review Letters}, volume={93}, pages={249701}, numpages={1}, year={2004}, url={https://link.aps.org/abstract/PRL/v93/e249701}, doi={10.1103/PhysRevLett.93.249701}} @article{rwg64, title={Image states in metal clusters}, author={Patrick Rinke and Kris Delaney and P. García-González and R. W. Godby}, journal={Physical Review A}, volume={70}, pages={063201}, numpages={5}, year={2004}, url={https://link.aps.org/abstract/PRA/v70/e063201}, doi={10.1103/PhysRevA.70.063201}, eprint={arXiv:cond-mat/0412138}} @article{rwg65, title={Assessment of density functional approximations: long-range correlations and self-interaction effects}, author={J. Jung and P. García-González and J. E. Alvarellos and R. W. Godby}, journal={Physical Review A}, volume={69}, pages={052501}, numpages={7}, year={2004}, url={https://link.aps.org/abstract/PRA/v69/e052501}, doi={10.1103/PhysRevA.69.052501}, eprint={arXiv:cond-mat/0404559}} @article{rwg66, title={Conductance and polarization in quantum junctions}, author={P. Bokes and R. W. Godby}, journal={Physical Review B}, volume={69}, pages={245420}, numpages={8}, year={2004}, url={https://link.aps.org/abstract/PRB/v69/e245420}, doi={10.1103/PhysRevB.69.245420}, eprint={arXiv:cond-mat/0403204}} @article{rwg67, title={Effects beyond the random-phase approximation in calculating the interaction between metal films}, author={J. Jung and P. García-González and J. F. Dobson and R. W. Godby}, journal={Physical Review B}, volume={70}, pages={205107}, numpages={11}, year={2004}, url={https://link.aps.org/abstract/PRB/v70/e205107}, doi={10.1103/PhysRevB.70.205107}, eprint={}} @article{rwg68, title={A brief introduction to the {ABINIT} software package}, author={Xavier Gonze and Gian-Marco Rignanese and Matthieu Verstraete and Jean-Michel Betiken and Yann Pouillon and Razvan Caracas and Francois Jollet and Marc Torrent and Glues Zerah and Masayoshi Mikami and Philippe Ghosez and Marek Veithen and Jean-Yves Raty and Valerio Olevano and Fabien Bruneval and Lucia Reining and Rex Godby and Giovanni Onida and D. R. Hamann and Douglas C. Allan}, journal={Zeitschrift für Kristallographie. (Special issue on Computational Crystallography.)}, volume={220}, pages={558-562}, year={2005}, url={https://doi.org/10.1524/zkri.220.5.558.65066}, doi={10.1524/zkri.220.5.558.65066}, eprint={}} @article{rwg69, title={Asymptotic self-consistency in quantum transport calculations}, author={H. Mera and P. Bokes and R. W. Godby}, journal={Physical Review B}, volume={72}, pages={085311}, numpages={6}, year={2005}, url={https://link.aps.org/abstract/PRB/v72/e085311}, doi={10.1103/PhysRevB.72.085311}, eprint={arXiv:cond-mat/0501667}} @article{rwg70, title={Current-constraining variational approaches to quantum transport}, author={P. Bokes and H. Mera and R. W. Godby}, journal={Physical Review B}, volume={72}, pages={165425}, numpages={10}, year={2005}, url={https://link.aps.org/abstract/PRB/v72/e165425}, doi={10.1103/PhysRevB.72.165425}, eprint={arXiv:cond-mat/0507448}} @article{rwg71, title={Quantum conductance of homogeneous and inhomogeneous interacting electron systems}, author={P. Bokes and J. Jung and R. W. Godby}, journal={cond-mat/0604317}, volume={}, pages={}, year={2006}, url={https://arxiv.org/abs/cond-mat/0604317}, eprint={arXiv:cond-mat/0604317}} @article{rwg72, title={Dielectric anisotropy in the {$GW$} space-time approach}, author={Christoph Freysoldt and Philipp Eggert and Patrick Rinke and Arno Schindlmayr and R. W. Godby and Matthias Scheffler}, journal={Computer Physics Communications}, volume={176}, pages={1--13}, year={2007}, url={https://dx.doi.org/10.1016/j.cpc.2006.07.018}, doi={10.1016/j.cpc.2006.07.018}, eprint={arXiv:cond-mat/0608215}} @article{rwg73, title={{Hartree-Fock} theory of a current-carrying electron gas}, author={H. Mera and P. Bokes and R. W. Godby}, journal={Physical Review B}, volume={76}, pages={125319}, numpages={5}, year={2007}, url={https://link.aps.org/abstract/PRB/v76/e125319}, doi={10.1103/PhysRevB.76.125319}, eprint={arXiv:cond-mat/0609271}} @article{rwg74, title={Self-interaction in {Green's}-function theory of the hydrogen atom}, author={W. Nelson and P. Bokes and Patrick Rinke and R. W. Godby}, journal={Physical Review A}, volume={75}, pages={032505}, numpages={4}, year={2007}, url={https://link.aps.org/abstract/PRA/v75/e032505}, doi={10.1103/PhysRevA.75.032505}, eprint={arXiv:cond-mat/0701592}} @article{rwg75, title={Vertex corrections in localized and extended systems}, author={Andrew J. Morris and Martin Stankovski and Kris T. Delaney and Patrick Rinke and P. García-González and R. W. Godby}, journal={Physical Review B}, volume={76}, pages={155106}, numpages={9}, year={2007}, url={https://link.aps.org/abstract/PRB/v76/e155106}, doi={10.1103/PhysRevB.76.155106}, eprint={arXiv:cond-mat/0702294}} @article{rwg76, title={Ab-initio formulation of the 4-point conductance of interacting electronic systems}, author={P. Bokes and J. Jung and R. W. Godby}, journal={Physical Review B}, volume={76}, pages={125433}, numpages={8}, year={2007}, url={https://link.aps.org/abstract/PRB/v76/e125433}, doi={10.1103/PhysRevB.76.125433}, eprint={arXiv:0705.1568 [cond-mat.mtrl-sci]}} @article{rwg77, title={Comment on `Dynamical corrections to the {DFT-LDA} electron conductance in nanoscale systems'}, author={J. Jung and P. Bokes and R. W. Godby}, journal={Physical Review Letters}, volume={98}, pages={259701}, numpages={1}, year={2007}, url={https://link.aps.org/abstract/PRL/v98/e259701}, doi={10.1103/PhysRevLett.98.259701}, eprint={arXiv:0706.0140 [cond-mat.mtrl-sci]}} @article{rwg78, title={Stroboscopic wavepacket description of non-equilibrium many-electron problems}, author={P. Bokes and F. Corsetti and R. W. Godby}, journal={Physical Review Letters}, volume={101}, pages={046402}, numpages={4}, year={2008}, url={https://link.aps.org/abstract/PRL/v101/e046402}, doi={10.1103/PhysRevLett.101.046402}, eprint={arXiv:0803.2448 [cond-mat.mtrl-sci]}} @article{rwg79, title={First-principles conductance of nanoscale junctions from the polarizability of finite systems}, author={Matthieu J. Verstraete and P. Bokes and R. W. Godby}, journal={Journal of Chemical Physics}, volume={130}, pages={124715}, numpages={8}, year={2009}, url={https://doi.org/10.1063/1.3096912}, doi={10.1063/1.3096912}, eprint={arXiv:0812.4205}} @article{rwg80, title={Non-equilibrium electronic structure of interacting single-molecule nanojunctions: vertex corrections and polarization effects for the electron-vibron coupling}, author={L. K. Dash and H. Ness and R. W. Godby}, journal={Journal of Chemical Physics}, volume={132}, pages={104113}, numpages={20}, year={2010}, url={https://doi.org/10.1063/1.3339390}, doi={10.1063/1.3339390}, eprint={arXiv:1001.2115}} @article{rwg81, title={Generalization and applicability of the {Landauer} formula for nonequilibrium current in the presence of interactions}, author={H. Ness and L. K. Dash and R. W. Godby}, journal={Physical Review B}, volume={82}, pages={085426}, numpages={12}, year={2010}, url={https://link.aps.org/doi/10.1103/PhysRevB.82.085426}, doi={10.1103/PhysRevB.82.085426}, eprint={arXiv:1007.1104}} @article{rwg82, title={GW approximations and vertex corrections on the {Keldysh} time-loop contour: application for model systems at equilibrium}, author={H. Ness and L. K. Dash and M. Stankovski and R. W. Godby}, journal={Physical Review B}, volume={84}, pages={195114}, numpages={13}, year={2011}, url={https://link.aps.org/doi/10.1103/PhysRevB.84.195114}, doi={10.1103/PhysRevB.84.195114}, eprint={arXiv:1106.1094}} @article{rwg83, title={Non-equilibrium inelastic electronic transport: Polarization effects and vertex corrections to the self-consistent {Born} approximation}, author={L. K. Dash and H. Ness and R. W. Godby}, journal={Physical Review B}, volume={84}, pages={085433}, numpages={9}, year={2011}, url={https://link.aps.org/doi/10.1103/PhysRevB.84.085433}, doi={10.1103/PhysRevB.84.085433}, eprint={arXiv:1107.1583 [cond-mat.mes-hall]}} @article{rwg84, title={Functionality in single-molecule devices: Model calculations and applications of the inelastic electron tunneling signal in molecular junctions}, author={L. K. Dash and H. Ness and M. J. Verstraete and R. W. Godby}, journal={Journal of Chemical Physics}, volume={136}, pages={064708}, numpages={11}, year={2012}, url={https://doi.org/10.1063/1.3684627}, doi={10.1063/1.3684627}, eprint={arXiv:1201.5254}} @article{rwg85, title={Exact density-functional potentials for time-dependent quasiparticles}, author={J. D. Ramsden and R. W. Godby}, journal={Physical Review Letters}, volume={109}, pages={036402}, numpages={4}, year={2012}, url={https://link.aps.org/doi/10.1103/PhysRevLett.109.036402}, doi={10.1103/PhysRevLett.109.036402}, eprint={arXiv:1206.6035}} @article{rwg86, title={Intrinsic exchange-correlation magnetic fields in exact current-density functional theory for degenerate systems}, author={J. D. Ramsden and R. W. Godby}, journal={Physical Review B}, volume={88}, pages={195115}, numpages={6}, year={2013}, url={https://link.aps.org/doi/10.1103/PhysRevB.88.195115}, doi={10.1103/PhysRevB.88.195115}, eprint={arXiv:1310.5887}} @article{rwg87, title={Exact time-dependent density-functional potentials for strongly correlated tunneling electrons}, author={M. J. P. Hodgson and J. D. Ramsden and J. B. J. Chapman and P. Lillystone and R. W. Godby}, journal={Physical Review B (Rapid Communications)}, volume={88}, pages={241102(R)}, numpages={4}, year={2013}, url={https://link.aps.org/doi/10.1103/PhysRevB.88.241102}, doi={10.1103/PhysRevB.88.241102}, eprint={arXiv:1312.2534}} @article{rwg88, title={Adiabatic and local approximations for the {Kohn-Sham} potential in time-dependent Hubbard chains}, author={L. Mancini and J. D. Ramsden and M. J. P. Hodgson and R. W. Godby}, journal={Physical Review B}, volume={89}, pages={195114}, numpages={6}, year={2014}, url={https://dx.doi.org/10.1103/PhysRevB.89.195114}, doi={10.1103/PhysRevB.89.195114}, eprint={arXiv:1405.0885}} @article{rwg89, title={Viewpoint: Quantum jostling proves diverting for electrons in a metal}, author={Rex Godby}, journal={Physics}, volume={7}, pages={70}, numpages={3}, year={2014}, url={https://physics.aps.org/articles/v7/70}, doi={10.1103/Physics.7.70}} @article{rwg90, title={Role of electron localization in density functionals}, author={M. J. P. Hodgson and J. D. Ramsden and T. R. Durrant and R. W. Godby}, journal={Physical Review B (Rapid Communications)}, volume={90}, pages={241107}, numpages={4}, year={2014}, url={https://link.aps.org/doi/10.1103/PhysRevB.90.241107}, doi={10.1103/PhysRevB.90.241107}, eprint={arXiv:1409.5666}} @article{rwg91, title={Origin of static and dynamic steps in exact {Kohn-Sham} potentials}, author={M. J. P. Hodgson and J. D. Ramsden and R. W. Godby}, journal={Physical Review B}, volume={93}, pages={155146}, numpages={11}, year={2016}, url={https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.155146}, doi={10.1103/PhysRevB.93.155146}, eprint={arXiv:1603.04816}} @article{rwg92, title={Local density approximations from finite systems}, author={M. T. Entwistle and M. J. P. Hodgson and J. Wetherell and B. Longstaff and J. D. Ramsden and R. W. Godby}, journal={Physical Review B}, volume={94}, pages={205134}, numpages={11}, year={2016}, url={https://doi.org/10.1103/PhysRevB.94.205134}, doi={10.1103/PhysRevB.94.205134}, eprint={arXiv:1611.01443}} @article{rwg93, title={Electron localisation in static and time-dependent one-dimensional model systems}, author={T. R. Durrant and M. J. P. Hodgson and J. D. Ramsden and R. W. Godby}, journal={Journal of Physics: Condensed Matter}, volume={30}, pages={065901}, numpages={6}, year={2018}, url={https://doi.org/10.1088/1361-648X/aaa4cd}, doi={10.1088/1361-648X/aaa4cd}, eprint={arXiv:1505.07687}} @article{rwg94, title={{$GW$} self-screening error and its correction using a local density functional}, author={J. Wetherell and M. J. P. Hodgson and R. W. Godby}, journal={Physical Review B (Rapid Communications)}, volume={97}, pages={121102(R)}, numpages={5}, year={2018}, url={https://doi.org/10.1103/PhysRevB.97.121102}, doi={10.1103/PhysRevB.97.121102}, eprint={arXiv:1802.06826}} @article{rwg95, title={Measuring adiabaticity in non-equilibrium quantum systems}, author={A.H. Skelt and R. W. Godby and I. D'Amico}, journal={Physical Review A}, volume={98}, pages={012104}, numpages={6}, year={2018}, url={https://doi.org/10.1103/PhysRevA.98.012104}, doi={10.1103/PhysRevA.98.012104}, eprint={arXiv:1711.10296}} @article{rwg96, title={Metrics for two electron random potential systems}, author={A.H. Skelt and R. W. Godby and I. D'Amico}, journal={Brazilian Journal of Physics}, volume={48}, pages={467-471}, numpages={5}, year={2018}, url={https://doi.org/10.1007/s13538-018-0589-1}, doi={10.1007/s13538-018-0589-1}, eprint={arXiv:1801.04132}} @article{rwg97, title={Accuracy of electron densities obtained via {Koopmans}-compliant hybrid functionals}, author={A. R. Elmaslmane and J. Wetherell and M. J. P. Hodgson and K. P. McKenna and R. W. Godby}, journal={Physical Review Materials (Rapid Communications)}, volume={2}, pages={040801(R)}, numpages={5}, year={2018}, url={https://doi.org/10.1103/PhysRevMaterials.2.040801}, doi={10.1103/PhysRevMaterials.2.040801}, eprint={arXiv:1803.11076}} @article{rwg98, title={Comparison of local density functionals based on electron gas and finite systems}, author={M. T. Entwistle and M. Casula and R. W. Godby}, journal={Physical Review B}, volume={97}, pages={235143}, numpages={8}, year={2018}, url={https://doi.org/10.1103/PhysRevB.97.235143}, doi={10.1103/PhysRevB.97.235143}, eprint={arXiv:1803.09740}} @article{rwg99, title={Advantageous nearsightedness of many-body perturbation theory contrasted with {Kohn-Sham} density functional theory}, author={J. Wetherell and M. J. P. Hodgson and L. Talirz and R. W. Godby}, journal={Physical Review B}, volume={99}, pages={045129}, numpages={5}, year={2019}, url={https://doi.org/10.1103/PhysRevB.99.045129}, doi={10.1103/PhysRevB.99.045129}, eprint={arXiv:1812.02661}} @article{rwg100, title={Exact exchange-correlation kernels for optical spectra of model systems}, author={M. T. Entwistle and R. W. Godby}, journal={Physical Review B (Rapid Communications)}, volume={99}, pages={161102}, numpages={5}, year={2019}, url={https://doi.org/10.1103/PhysRevB.99.161102}, doi={10.1103/PhysRevB.99.161102}, eprint={arXiv:1812.05512}} @article{rwg101, title={Exact non-adiabatic part of the {Kohn-Sham} potential and its fluidic approximation}, author={M. T. Entwistle and R. W. Godby}, journal={Physical Review Materials}, volume={4}, pages={035002}, numpages={5}, year={2020}, url={https://doi.org/10.1103/PhysRevMaterials.4.035002}, doi={10.1103/PhysRevMaterials.4.035002}, eprint={arXiv:1911.06767}} @article{rwg102, title={Viewpoint: Expanding the scope of electronic-structure theory}, author={Rex Godby}, journal={Physics}, volume={13}, pages={196}, numpages={3}, year={2020}, url={https://physics.aps.org/articles/v13/196}, doi={10.1103/Physics.13.196}} @article{rwg103, title={Insights from exact exchange-correlation kernels}, author={N. D. Woods and M. T. Entwistle and R. W. Godby}, journal={Physical Review B}, volume={103}, pages={125155}, numpages={12}, year={2021}, url={https://doi.org/10.1103/PhysRevB.103.125155}, doi={10.1103/PhysRevB.103.125155}, eprint={arXiv:2101.12207}} @article{rwg104, title={Accurate total energies from the adiabatic-connection fluctuation-dissipation theorem}, author={N. D. Woods and M. T. Entwistle and R. W. Godby}, journal={Physical Review B}, volume={104}, pages={125126}, numpages={12}, year={2021}, url={https://journals.aps.org/prb/abstract/10.1103/PhysRevB.104.125126}, doi={10.1103/PhysRevB.104.125126}, eprint={arXiv:2107.14434}} @article{rwg105, title={TEMPLATE}, author={}, journal={}, volume={}, pages={}, numpages={}, year={}, url={}, doi={}, eprint={arXiv:TEMPLATE}} @comment{ OTHER PUBLICATIONS OF THE GROUP } @article{rwggroup01, title={Violation of particle number conservation in the {\it GW} approximation}, author={A. Schindlmayr}, journal={Physical Review B}, volume={56}, pages={3528}, year={1997}, eprint={arXiv:cond-mat/9709275}} @article{rwggroup02, title={Excitons with anisotropic effective mass}, author={A. Schindlmayr}, journal={European Journal of Physics}, volume={18}, pages={374}, year={1997}} @article{rwggroup03, title={Dimensional crossover of the exchange-correlation density functional}, author={P. García-González}, journal={Physical Review B}, volume={62}, pages={2321-2329}, year={2000}} @article{rwggroup04, title={Image potential and the exchange-correlation weighted density approximation functional}, author={P. García-González and K. E. Alvarellos and E. Chacón and P. Tarazona}, journal={Physical Review B}, volume={62}, pages={16063-16068}, year={2000}} @article{rwggroup05, title={Phonon band structure and electron-phonon interactions in metallic nanowires}, author={Matthieu J. Verstraete and Xavier Gonze}, journal={Physical Review B.}, volume={74}, pages={153408}, numpages={4}, year={2006}, url={https://link.aps.org/abstract/PRB/v74/e153408}, doi={10.1103/PhysRevB.74.153408}} @inproceedings{rwggroup06, title={Scattering of electrons from an edge and the spin Hall effect}, author={P. Bokes}, booktitle={Proceedings of the 14th International Conference on Applied Physics of Condensed Matter}, pages={36-40}, editor={}, publisher={KRU Bystrá}, address={Liptovský Ján, Slovak Republic}, year={2008}, url={}, doi={}, isbn={978-80-227-2902-4}, eprint={}} @article{rwggroup07, title={Edge-induced spin polarization in two-dimensional electron gas}, author={P. Bokes and F. Horváth}, journal={Physical Review B}, volume={81}, pages={125302}, numpages={7}, year={2010}, url={https://link.aps.org/doi/10.1103/PhysRevB.81.125302}, doi={10.1103/PhysRevB.81.125302}} @article{rwggroup08, title={Time operators in stroboscopic wave-packet basis and the time scales in tunneling}, author={P. Bokes}, journal={Physical Review A}, volume={83}, pages={032104}, numpages={7}, year={2011}, url={https://link.aps.org/doi/10.1103/PhysRevA.83.032104}, doi={10.1103/PhysRevA.83.032104}} @article{rwggroup09, title={On-Surface Synthesis of Atomically Precise Graphene Nanoribbons}, author={L. Talirz and P. Ruffieux and R. Fasel}, journal={Advanced Materials}, volume={28}, pages={6222}, numpages={}, year={2017}, url={https://onlinelibrary.wiley.com/doi/10.1002/adma.201505738/full}, doi={10.1002/adma.201505738}} @article{rwggroup10, title={On-Surface Synthesis and Characterization of 9-Atom Wide Armchair Graphene Nanoribbons}, author={Talirz, Leopold and Söde, Hajo and Dumslaff, Tim and Wang, Shiyong and Sanchez-Valencia, Juan Ramon and Liu, Jia and Shinde, Prashant and Pignedoli, Carlo A. and Liang, Liangbo and Meunier, Vincent and Plumb, Nicholas C. and Shi, Ming and Feng, Xinliang and Narita, Akimitsu and Müllen, Klaus and Fasel, Roman and Ruffieux, Pascal}, journal={ACS Nano}, volume={83}, pages={032104}, numpages={9}, year={2017}, url={https://pubs.acs.org/doi/abs/10.1021/acsnano.6b06405}, doi={10.1021/acsnano.6b06405}} @comment{ END OF LIST } @comment{ Templates (preface with an at-sign): article{rwgXX, title={TEMPLATE}, author={}, journal={}, volume={}, pages={}, numpages={}, year={}, url={}, doi={}, eprint={arXiv:TEMPLATE}} incollection{rwgXX, title={TEMPLATE}, author={}, booktitle={}, editor={}, publisher={}, address={}, year={}, url={}, doi={}, eprint={arXiv:TEMPLATE}} inproceedings{rwgXX, title={TEMPLATE}, author={}, booktitle={}, editor={}, publisher={}, address={}, year={}, url={}, doi={}, eprint={arXiv:TEMPLATE}} } @comment{ Tips for entering BibTeX items: - remember to put an "and" between *all* authors, e.g. "A and B and C" not "A, B and C" - remember to put a space between initials, e.g. "R. W. Godby" not "R.W. Godby" - at-signs are not allowed in a comment - enter accented characters as {\"a} etc., or use UTF-8 (ä) } @comment{ This little LaTeX document (bibprint.tex) can be used to print out the entire bibliography: \documentclass{article} \begin{document} \nocite* \bibliographystyle{rex} % Change to your preferred bibliography style \bibliography{rwg_publications.bib} % Name of the bibliography file (.bib) \end{document} }