[Les méthodes de multiconfiguration en chimie quantique : condition de Palais–Smale et existence de minima]
Dans cette Note, nous proposons une nouvelle preuve de l'existence d'un minimum pour les méthodes de multiconfiguration en Chimie Quantique. Nous utilisons une propriété de Palais–Smale (avec information de type Morse), dont la démonstration repose sur les équations d'Euler–Lagrange écrites sous une forme compacte aisément utilisable.
In this Note, we propose a new proof for the existence of a minimum in the multiconfiguration methods in Quantum Chemistry. We use a Palais–Smale condition with Morse-type information, whose proof is based on the Euler–Lagrange equations, written in a simple and useful way.
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@article{CRMATH_2002__334_4_299_0,
author = {Lewin, Mathieu},
title = {The multiconfiguration methods in quantum chemistry: {Palais{\textendash}Smale} condition and existence of minimizers},
journal = {Comptes Rendus. Math\'ematique},
pages = {299--304},
publisher = {Elsevier},
volume = {334},
number = {4},
year = {2002},
doi = {10.1016/S1631-073X(02)02252-5},
language = {en},
url = {http://www.numdam.org/articles/10.1016/S1631-073X(02)02252-5/}
}
TY - JOUR AU - Lewin, Mathieu TI - The multiconfiguration methods in quantum chemistry: Palais–Smale condition and existence of minimizers JO - Comptes Rendus. Mathématique PY - 2002 SP - 299 EP - 304 VL - 334 IS - 4 PB - Elsevier UR - http://www.numdam.org/articles/10.1016/S1631-073X(02)02252-5/ DO - 10.1016/S1631-073X(02)02252-5 LA - en ID - CRMATH_2002__334_4_299_0 ER -
%0 Journal Article %A Lewin, Mathieu %T The multiconfiguration methods in quantum chemistry: Palais–Smale condition and existence of minimizers %J Comptes Rendus. Mathématique %D 2002 %P 299-304 %V 334 %N 4 %I Elsevier %U http://www.numdam.org/articles/10.1016/S1631-073X(02)02252-5/ %R 10.1016/S1631-073X(02)02252-5 %G en %F CRMATH_2002__334_4_299_0
Lewin, Mathieu. The multiconfiguration methods in quantum chemistry: Palais–Smale condition and existence of minimizers. Comptes Rendus. Mathématique, Tome 334 (2002) no. 4, pp. 299-304. doi : 10.1016/S1631-073X(02)02252-5. http://www.numdam.org/articles/10.1016/S1631-073X(02)02252-5/
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