Singlet-triplet gaps in polyacenes: a delicate balance between dynamic and static correlations investigated by spin-flip methods.
about
Generalized-active-space pair-density functional theory: an efficient method to study large, strongly correlated, conjugated systems.Systematic design of active spaces for multi-reference calculations of singlet-triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data.Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy.
P2860
Singlet-triplet gaps in polyacenes: a delicate balance between dynamic and static correlations investigated by spin-flip methods.
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年学术文章
@wuu
2015年学术文章
@zh
2015年学术文章
@zh-cn
2015年学术文章
@zh-hans
2015年学术文章
@zh-my
2015年学术文章
@zh-sg
2015年學術文章
@yue
2015年學術文章
@zh-hant
name
Singlet-triplet gaps in polyac ...... stigated by spin-flip methods.
@en
Singlet-triplet gaps in polyac ...... stigated by spin-flip methods.
@nl
type
label
Singlet-triplet gaps in polyac ...... stigated by spin-flip methods.
@en
Singlet-triplet gaps in polyac ...... stigated by spin-flip methods.
@nl
prefLabel
Singlet-triplet gaps in polyac ...... stigated by spin-flip methods.
@en
Singlet-triplet gaps in polyac ...... stigated by spin-flip methods.
@nl
P2860
P356
P1476
Singlet-triplet gaps in polyac ...... estigated by spin-flip methods
@en
P2093
Debashree Ghosh
P2860
P304
P356
10.1039/C5CP00214A
P407
P577
2015-04-01T00:00:00Z