Breaking multiple covalent bonds with Hartree-Fock-based quantum chemistry: Quasi-Variational Coupled Cluster theory with perturbative treatment of triple excitations.
about
State-specific multireference perturbation theory with improved virtual orbitals: taming the ground state of F2 , Be2, and N2.Restricted Hartree Fock using complex-valued orbitals: a long-known but neglected tool in electronic structure theory.Rigorously extensive orbital-invariant renormalized perturbative triples corrections from quasi-variational coupled cluster theory.Application of the quasi-variational coupled cluster method to the nonlinear optical properties of model hydrogen systems.
P2860
Breaking multiple covalent bonds with Hartree-Fock-based quantum chemistry: Quasi-Variational Coupled Cluster theory with perturbative treatment of triple excitations.
description
2012 nî lūn-bûn
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2012年の論文
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2012年学术文章
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2012年学术文章
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Breaking multiple covalent bon ...... eatment of triple excitations.
@en
Breaking multiple covalent bon ...... eatment of triple excitations.
@nl
type
label
Breaking multiple covalent bon ...... eatment of triple excitations.
@en
Breaking multiple covalent bon ...... eatment of triple excitations.
@nl
prefLabel
Breaking multiple covalent bon ...... eatment of triple excitations.
@en
Breaking multiple covalent bon ...... eatment of triple excitations.
@nl
P2860
P356
P1476
Breaking multiple covalent bon ...... eatment of triple excitations.
@en
P2093
James B Robinson
P2860
P304
P356
10.1039/C2CP40698E
P407
P577
2012-04-13T00:00:00Z