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Local quantum chemistry: The local space approximation for Møller–Plesset perturbation theory
Author(s) -
Kirtman Bernard
Publication year - 1995
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/qua.560550204
Subject(s) - møller–plesset perturbation theory , perturbation theory (quantum mechanics) , quantum chemistry , quantum mechanics , space (punctuation) , quantum , physics , computational chemistry , chemistry , statistical physics , molecule , computer science , supramolecular chemistry , operating system
The local space approximation is an accurate technique for describing a relatively small cluster embedded within an extended system. It has previously been developed for the Hartree‐Fock, local density functional, configuration interaction, and coupled cluster electronic structure methods. Here it is extended to Møller‐Plesset perturbation theory. © 1995 John Wiley & Sons, Inc.