about
Application of classical simulations for the computation of vibrational properties of free molecules.Analytic energy gradients for orbital-optimized MP3 and MP2.5 with the density-fitting approximation: An efficient implementation.A cumulant functional for static and dynamic correlation.Density cumulant functional theory from a unitary transformation: N-representability, three-particle correlation effects, and application to O4(+).Orbital-optimized MP2.5 and its analytic gradients: approaching CCSD(T) quality for noncovalent interactions.Orbital-optimized linearized coupled-cluster doubles with density-fitting and Cholesky decomposition approximations: an efficient implementation.
P2860
description
2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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2013年学术文章
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2013年学术文章
@zh-cn
2013年学术文章
@zh-hans
2013年学术文章
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2013年学术文章
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2013年學術文章
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2013年學術文章
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name
Orbital-optimized density cumulant functional theory.
@en
Orbital-optimized density cumulant functional theory.
@nl
type
label
Orbital-optimized density cumulant functional theory.
@en
Orbital-optimized density cumulant functional theory.
@nl
prefLabel
Orbital-optimized density cumulant functional theory.
@en
Orbital-optimized density cumulant functional theory.
@nl
P2860
P356
P1476
Orbital-optimized density cumulant functional theory.
@en
P2093
Henry F Schaefer
P2860
P304
P356
10.1063/1.4833138
P407
P577
2013-11-01T00:00:00Z