Cel The coordinator of this project (A. Savin) and co-workers proposed a method that mixes configuration interaction (CI) and density functional theory (DFT), by splitting the electron-electron interaction into a short-range part (to be treated with DFT) and a long-range part (to be treated with CI). Preliminary tests of this method, within a simple local approximation for the short-range functional, gave very encouraging results [see Pollet et al., J. Chem. Phys. 116, 1250(2002)]. The researcher in this project (P. Gori-Giorgi), in collaboration with J.P. Perdew, has recently shown that an accurate description of short-range correlation in uniform systems can be obtained from a simple electrostatic model [see Gori-Giorgi and Perdew, Phys. Rev. B 64, 155102 (2001)]. She is also currently collaborating in an effort to provide a more accurate functional for the short-range part of the electron-electron interaction, combining quantum Monte Carlo (QMC) simulations and exact limits.In this project, we want to put together the aforementioned ideas and results (coming from both Chemistry and Physics) of the coordinator and of the researcher to achieve two main objectives:(i) improve the performances of the scheme proposed by the coordinator and coworkers, by designing a better short-range energy functional, and(ii) generalise the approach proposed by the researcher and J.P. Perdew to systems of non-uniform density.These two objectives are linked, since the basics to carry out objective (ii) would be also used for objective (i) The researcher has experience in QMC and DFT for the execution of this project she would learn, in the host institution, the basics of the CI method. Słowa kluczowe density density functional theory functional theory Program(-y) FP6-MOBILITY - Human resources and Mobility in the specific programme for research, technological development and demonstration "Structuring the European Research Area" under the Sixth Framework Programme 2002-2006 Temat(-y) MOBILITY-2.1 - Marie Curie Intra-European Fellowships (EIF) Zaproszenie do składania wniosków FP6-2002-MOBILITY-5 Zobacz inne projekty w ramach tego zaproszenia System finansowania EIF - Marie Curie actions-Intra-European Fellowships Koordynator UNIVERSITE PIERRE ET MARIE CURIE Wkład UE Brak danych Adres 4, pl. Jussieu PARIS Francja Zobacz na mapie Koszt całkowity Brak danych