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Computing a molecule in its environment: A mathematical viewpoint
Author(s) -
Defranceschi Mireille,
Le Bris Claude
Publication year - 1999
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1999)71:3<227::aid-qua2>3.0.co;2-8
Subject(s) - quantum chemistry , statistical physics , bibliography , mathematical model , molecule , theoretical physics , quantum , computer science , computational chemistry , management science , physics , chemistry , quantum mechanics , engineering , library science , supramolecular chemistry
This article is the sequel of a previous survey where we presented the mathematical results rigorously known on the models used in quantum chemistry to simulate an isolated molecular system. The emphasis here is on the models that take into account the environment of the molecule, namely, the models of the condensed phase and the models of interaction with electromagnetic fields. Some related issues are also dealt with. A bibliography of more than 150 references are provided. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 71: 227–250, 1999