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Computing a molecule in its environment: A mathematical viewpoint

✍ Scribed by Mireille Defranceschi; Claude Le Bris

Publisher: John Wiley and Sons
Year: 1999
Tongue: English
Weight: 406 KB
Volume: 71
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1999)71:3<227::aid-qua2>3.0.co;2-8

No coin nor oath required. For personal study only.

✦ Synopsis

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.

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