Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals.

Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals.

Item
http://www.wikidata.org/entity/Q34625245
Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle-2-hole and 4-hole-2-particle excitations and their active-space extensions.Multi-reference state-universal coupled-cluster approaches to electronically excited states.A new electronic structure method for doublet states: configuration interaction in the space of ionized 1h and 2h1p determinants.Charge localization and Jahn-Teller distortions in the benzene dimer cation.Additional global internal contraction in variations of multireference equation of motion coupled cluster theory.Coupled-cluster interpretation of the photoelectron spectrum of Ag3 (.).Molecular response properties in equation of motion coupled cluster theory: A time-dependent perspective.Temporary anion states of p-benzoquinone: shape and core-excited resonances.Multireference equation-of-motion coupled cluster theory.Equation-of-motion coupled-cluster method for ionized states with spin-orbit coupling.Multireference coupled-cluster study of the symmetry breaking in the C2B radical.Multireference general-model-space state-universal and state-specific coupled-cluster approaches to excited states.Performance of multireference and equation-of-motion coupled-cluster methods for potential energy surfaces of low-lying excited states: symmetric and asymmetric dissociation of water.An explicitly spin-free compact open-shell coupled cluster theory using a multireference combinatoric exponential ansatz: formal development and pilot applications.
P2860

Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals.

Item
http://www.wikidata.org/entity/Q34625245
description
2007 nî lūn-bûn
@nan
2007 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
name
Active-space symmetry-adapted- ...... l energy surfaces of radicals.
@ast
Active-space symmetry-adapted- ...... l energy surfaces of radicals.
@en
Active-space symmetry-adapted- ...... l energy surfaces of radicals.
@nl
type
label
Active-space symmetry-adapted- ...... l energy surfaces of radicals.
@ast
Active-space symmetry-adapted- ...... l energy surfaces of radicals.
@en
Active-space symmetry-adapted- ...... l energy surfaces of radicals.
@nl
prefLabel
Active-space symmetry-adapted- ...... l energy surfaces of radicals.
@ast
Active-space symmetry-adapted- ...... l energy surfaces of radicals.
@en
Active-space symmetry-adapted- ...... l energy surfaces of radicals.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
Active-space symmetry-adapted- ...... l energy surfaces of radicals.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698