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Local quantum chemistry: The local space approximation for Møller–Plesset perturbation theory

1995; Wiley; Volume: 55; Issue: 2 Linguagem: Inglês

10.1002/qua.560550204

1097-461X

Bernard Kirtman,

Advanced Condensed Matter Physics

Abstract 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.