Parallel implementation of the equation-of-motion coupled-cluster singles and doubles method and application for radical adducts of cytosine.
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Excited electronic states from a variational approach based on symmetry-projected Hartree-Fock configurations.Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer.A new internally contracted multi-reference configuration interaction method.Gas phase solvatochromic effects of phenol and naphthol photoacids.Quantitative prediction of gas-phase (15)N and (31)P nuclear magnetic shielding constants.Extensive regularization of the coupled cluster methods based on the generating functional formalism: application to gas-phase benchmarks and to the SN2 reaction of CHCl3 and OH- in water.The divide–expand–consolidate MP2 scheme goes massively parallel
P2860
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P2860
Parallel implementation of the equation-of-motion coupled-cluster singles and doubles method and application for radical adducts of cytosine.
description
2009 nî lūn-bûn
@nan
2009年の論文
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2009年学术文章
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2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
@yue
2009年學術文章
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2009年學術文章
@zh-hant
name
Parallel implementation of the ...... r radical adducts of cytosine.
@en
Parallel implementation of the ...... r radical adducts of cytosine.
@nl
type
label
Parallel implementation of the ...... r radical adducts of cytosine.
@en
Parallel implementation of the ...... r radical adducts of cytosine.
@nl
prefLabel
Parallel implementation of the ...... r radical adducts of cytosine.
@en
Parallel implementation of the ...... r radical adducts of cytosine.
@nl
P2093
P2860
P356
P1476
Parallel implementation of the ...... r radical adducts of cytosine.
@en
P2093
Rodney J Bartlett
Tomasz Kuś
Victor F Lotrich
P2860
P304
P356
10.1063/1.3091293
P407
P577
2009-03-01T00:00:00Z