A truncated version of reduced multireference coupled-cluster method with singles and doubles and noniterative triples: application to F2 and Ni(CO)n (n=1, 2, and 4).
about
Accounting for the exact degeneracy and quasidegeneracy in the automerization of cyclobutadiene via multireference coupled-cluster methods.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.Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the formula for general active spaces and its applications for multibond breaking systems.A B3LYP-DBLOC empirical correction scheme for ligand removal enthalpies of transition metal complexes: parameterization against experimental and CCSD(T)-F12 heats of formation.Block correlated coupled cluster theory with a complete active-space self-consistent-field reference function: the formulation and test applications for single bond breaking.The externally corrected coupled cluster approach with four- and five-body clusters from the CASSCF wave function.Perturbative triples corrections in state-specific multireference coupled cluster theory.Computation of potential energy surfaces with the multireference correlation consistent composite approach.Multireference general-model-space state-universal and state-specific coupled-cluster approaches to excited states.Binding in transition metal complexes: Reduced multireference coupled-cluster study of the MCH2+ (M=Sc to Cu) compounds.Real or artifactual symmetry breaking in the BNB radical: a multireference coupled cluster viewpoint.
P2860
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P2860
A truncated version of reduced multireference coupled-cluster method with singles and doubles and noniterative triples: application to F2 and Ni(CO)n (n=1, 2, and 4).
description
2006 nî lūn-bûn
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2006年の論文
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2006年学术文章
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name
A truncated version of reduced ...... 2 and Ni(CO)n (n=1, 2, and 4).
@en
A truncated version of reduced ...... 2 and Ni(CO)n (n=1, 2, and 4).
@nl
type
label
A truncated version of reduced ...... 2 and Ni(CO)n (n=1, 2, and 4).
@en
A truncated version of reduced ...... 2 and Ni(CO)n (n=1, 2, and 4).
@nl
prefLabel
A truncated version of reduced ...... 2 and Ni(CO)n (n=1, 2, and 4).
@en
A truncated version of reduced ...... 2 and Ni(CO)n (n=1, 2, and 4).
@nl
P2860
P356
P1476
A truncated version of reduced ...... 2 and Ni(CO)n (n=1, 2, and 4).
@en
P2093
Josef Paldus
Xiangzhu Li
P2860
P304
P356
10.1063/1.2361295
P407
P577
2006-10-01T00:00:00Z