Breaking bonds of open-shell species with the restricted open-shell size extensive left eigenstate completely renormalized coupled-cluster method.
about
Progress and challenges in the calculation of electronic excited states.Coupled-cluster reaction barriers of HO2+H2O+O3: An application of the coupled-cluster//Kohn-Sham density functional theory model chemistry.Evaluation of density functional methods on the geometric and energetic descriptions of species involved in Cu⁺-promoted catalysis.The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theory.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.An explicitly spin-free compact open-shell coupled cluster theory using a multireference combinatoric exponential ansatz: formal development and pilot applications.
P2860
Breaking bonds of open-shell species with the restricted open-shell size extensive left eigenstate completely renormalized coupled-cluster method.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
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2008年學術文章
@zh-hant
name
Breaking bonds of open-shell s ...... alized coupled-cluster method.
@en
Breaking bonds of open-shell s ...... alized coupled-cluster method.
@nl
type
label
Breaking bonds of open-shell s ...... alized coupled-cluster method.
@en
Breaking bonds of open-shell s ...... alized coupled-cluster method.
@nl
prefLabel
Breaking bonds of open-shell s ...... alized coupled-cluster method.
@en
Breaking bonds of open-shell s ...... alized coupled-cluster method.
@nl
P2093
P356
P1476
Breaking bonds of open-shell s ...... alized coupled-cluster method.
@en
P2093
Jeffrey R Gour
Mark S Gordon
Marta Włoch
P304
11873-11884
P356
10.1021/JP806029Z
P407
P577
2008-10-29T00:00:00Z