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EXCAM Workshop 1996

Electronic Exchange and Correlation in Advanced Materials

Thursday 26 September - Saturday 28 September 1996

Ecole Polytechnique, Palaiseau, Paris

A small, informal, 3-day workshop on the electronic and optical properties of solids and structures, with a focus on ab initio computational work.

Organisers: Rex Godby (University of York), Lucia Reining (Ecole Polytechnique)


The programme is now available here.

List of Participants[NEW!]

A list of participants, with e-mail addresses, is now available here.

Details of Accommodation[NEW!]

are now available in the Accommodation section below

Invited and Contributed Papers

Abstracts, where provided, are available here


A. BaldereschiModel GW scheme for correlated d-electron systems
O. Gunnarsson, E. Koch and R.M. Martin Orbital degeneracy and Mott transition: 'Fixed node' lattice Monte-Carlo calculations for a C60 model Abstract
W.C. Mackrodt Hartree-Fock description of NiO: a starting point for correlated procedures? Abstract


Paulo H. Acioli and David M. Ceperley Exchange and Correlation holes in jellium surfaces Abstract
Stefan Albrecht, Giovanni Onida and Lucia Reining Ab-initio calculation of absorption spectra including excitonic effects
F. Bechstedt and L.J. Sham Strong electronic correlation in C60? The case of excitons
F. Aryasetiawan, L. Hedin and K. Karlsson Multiple plasmon satellites in Na and Al spectral functions from cumulant expansion Abstract
G. Barinovs and B. Zapol Electron group functions theory equations for internally correlated and mutually nonothogonal groups
G. Cappellini, F. Casula, Jinlong Yang and F. Bechstedt Quasiparticle energies in clusters determined via an efficient method: application to C60 and Na4
C. Delerue, M. Lannoo and G. Allan Plasmons in silicon nanocrystallites
R. Holm and U. von Barth Fully self-consistent GW results for the electron gas
M. Hindgren and C.-O. Almbladh Total energies and vertex corrections
Yu. R. Kalnin and G.J. Zvejnieks Reaction rate dependence on particle generation function shape and sink distribution function
M. Lannoo, C. Delerue and G. Allan Self-trapped excitons in semiconductor nanocrystallites
M. Palummo, G. Onida, R. Del Sole and L. Reining Density functional calculations for real materials beyond the local density approximation
T. Pollehn and R.W. Godby Assessment of further many-body approximations using 1D and 2D Hubbard model systems Abstract
O. Pulci, A. Shkrebtii, G. Onida, C. Kress and R. Del Sole Ab initio calculation of surface optical properties
M.M. Rieger, R.W. Godby, H.N. Rojas and R.J. Needs The charge density of semiconductor heterostructures with the GW space-time method Abstract
M. Rohlfing, P. Krüger and J. Pollmann Quasiparticle energies of bulk and surface core levels Abstract
A. RubioOptical response of small metallic and semiconductor clusters
A. RubioImaginary time calculations and Weighted-density approximation
A. Schindlmayr and R.W. Godby Iterative solution of Hedin's equations beyond the GW approximation Abstract
M. Springer, P.S. Svendsen and U. von Barth A straightforward gradient approximation for the exchange energy of s-p bonded solids
M. Städele, A. Görling, J.A. Majewski and P. Vogl Exact exchange potential for semiconductors
L. Steinbeck, W.G. Aulbur, R.W. Godby and M.M. Rieger Ab-initio many-body calculations with the space-time GW method on a parallel computer Abstract
K. Tenelsen and F. Bechstedt Compensation of dynamical quasiparticle and vertex corrections in optical spectra
R.T.M. Ummels, W. van Haeringen, P.A. Bobbert, H.J. de Groot Lowest order vertex- and selfconsistency-corrections to RPA-GW in silicon and diamond
R.T.M. Ummels, H.J. de Groot, P.A. Bobbert, W. van Haeringen Lowest order vertex- and selfconsistency-corrections to RPA-GW Abstract
I.D. White, R.W. Godby, M.M. Rieger and R.J. Needs First-principles calculation of the dynamic image potential at an Al(111) surface Abstract

Registration, Bursaries and Contributed Papers

Participants must apply by 15 August 1996 on the application form, a PostScript version of which appears here. Please print it on your PostScript printer. Alternatively, forms may be obtained from Rex Godby (e-mail rwg3@york.ac.uk). There will be a small conference fee of £39 (approx. ECU48), payment of which must accompany the form. Payment cannot be accepted at the workshop itself. Post-deadline registrations may be accepted subject to availability and payment of an supplementary fee. The conference fee will be used primarily to support 3 invited speakers. Places at the workshop are limited in number.

Through the generosity of the Ecole, around 10 bursaries of approximately FF1500 (approx. ECU230) will be available to provide partial support of travel, conference fee and/or accommodation costs. Application forms from those applying for bursaries must be received by 22 July. Bursaries are intended for graduate students, or others, who are presenting papers and have very limited funds available for travel to workshops of this sort. Applicants should enclose a supporting letter signed by a senior member of their research group explaining why bursary support is appropriate.

Contributed papers are welcome, and may be selected for oral or poster presentation. There will be 3 invited speakers, so most of the talks will be contributed. The application form will request details of any contributed paper.


A limited number of rooms (with private bathroom) are available in the Ecole Polytechnique, at a cost of approximately FF120 per night per person. Breakfast is available and should be paid for separately. These rooms must be reserved through the workshop organiser, Rex Godby, by completing the relevant section of the application form, and payment should be made to the Ecole during the workshop. Rooms will be allocated on a first-come-first-served basis. Application by 22 July is strongly recommended. Some double rooms (at FF160 per night) may also be available.

[NEW!]The Ecole Polytechnique hotel is between the symbol [9] (Cour Ferrie) and the word "Alimentation" near the centre of the large EP map (http://www.polytechnique.fr/edu/PlanToBeSend1.JPG). If in doubt, please e-mail Lucia Reining (reining@monet.polytechnique.fr), stating your fax number, and ask her to fax you a copy of the map with the hotel marked. The reception is open from 8:30 to 11:30 and from 12:30 to 16:45 Monday to Friday and your key can be obtained there. (If you anticipate arriving after 16:45 but before 18:00, the person in charge of the hotel is willing to remain open until you arrive, if you notify Lucia Reining at least 24-48 hours in advance.) Outside those hours the keys are with the fire brigade (marked SSI [10] [Service Sécurité Incendie] on the EP map; also called "Salle des permanences"). Payment should be made to the hotel reception during the workshop.

Others may wish to stay in central Paris and commute out on the RER (see below). The City of Paris official list of hotels is here. Many hotels in the 5th arrondissement are convenient for the RER. It is also possible to view those hotels which are considered close to the RER Luxembourg and St. Michel stations.


The workshop registrations and sessions will take place in the Laboratoire des solides irradiés (SESI on the laboratory plan). Room PC39 will be used for registration, discussions and posters, Room PC37 for the oral sessions, and DEA33 (from Thursday afternoon) for Internet access.

The Ecole Polytechnique, which is to the south-west of Paris, may be reached conveniently using RER Line B to Lozère station (journey time from central Paris approx. 50 minutes, followed by a steep 20-minute walk through a wood which is unlit at night), or to Massy-Palaiseau or Palaiseau-Villebon stations at specified times when a free bus service operates (Monday-Friday only). If returning to the campus from central Paris at night, a taxi from the Orsay-Ville RER station is recommended.

Further details of the Ecole Polytechnique campus, and travel details from central Paris and elsewhere, are provided by the Ecole Polytechnique here.


Urgent messages for workshop participants may be left on Lucia Reining's answering machine (+33 1 69333691) or fax machine (+33 1 69333022).

Please contact Rex Godby (e-mail rwg3@york.ac.uk) about any organisational matters, or Lucia Reining (e-mail reining@monet.polytechnique.fr) for local information.