Variational fractional-spin density-functional theory for diradicals.
about
Theory and practice of uncommon molecular electronic configurationsNature of ground and electronic excited states of higher acenes.Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemes.Accurate and efficient calculation of excitation energies with the active-space particle-particle random phase approximation.
P2860
Variational fractional-spin density-functional theory for diradicals.
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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name
Variational fractional-spin density-functional theory for diradicals.
@en
Variational fractional-spin density-functional theory for diradicals.
@nl
type
label
Variational fractional-spin density-functional theory for diradicals.
@en
Variational fractional-spin density-functional theory for diradicals.
@nl
prefLabel
Variational fractional-spin density-functional theory for diradicals.
@en
Variational fractional-spin density-functional theory for diradicals.
@nl
P2093
P2860
P356
P1476
Variational fractional-spin density-functional theory for diradicals.
@en
P2093
Daniel H Ess
Deepa Devarajan
Degao Peng
Erin R Johnson
Weitao Yang
Xiangqian Hu
P2860
P304
P356
10.1063/1.4749242
P407
P577
2012-09-01T00:00:00Z