Efficient implementation of restricted active space configuration interaction with the hole and particle approximation.
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Analytic first derivatives of floating occupation molecular orbital-complete active space configuration interaction on graphical processing units.Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors.Second-order perturbative corrections to the restricted active space configuration interaction with the hole and particle approach.
P2860
Efficient implementation of restricted active space configuration interaction with the hole and particle approximation.
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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2012年学术文章
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@zh-sg
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name
Efficient implementation of re ...... le and particle approximation.
@en
Efficient implementation of re ...... le and particle approximation.
@nl
type
label
Efficient implementation of re ...... le and particle approximation.
@en
Efficient implementation of re ...... le and particle approximation.
@nl
prefLabel
Efficient implementation of re ...... le and particle approximation.
@en
Efficient implementation of re ...... le and particle approximation.
@nl
P2860
P356
P1476
Efficient implementation of re ...... le and particle approximation.
@en
P2860
P304
P356
10.1002/JCC.23188
P577
2012-12-07T00:00:00Z