Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples.
about
Force field of para- and metabenzyne diradicals: a multireference coupled-cluster study.Accounting for the exact degeneracy and quasidegeneracy in the automerization of cyclobutadiene via multireference coupled-cluster methods.Bridging single and multireference coupled cluster theories with universal state selective formalism.Full potential energy curve for N2 by the reduced multireference coupled-cluster method.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.Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods.Breaking a bottleneck: Accurate extrapolation to "gold standard" CCSD(T) energies for large open shell organic radicals at reduced computational cost.Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. II. Applications and performance.Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. I. Formalism and mutual relationship.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.Perturbative treatment of triple excitations in internally contracted multireference coupled cluster theory.Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with benchmark calculations for biradical transition states.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.Hybrid coupled cluster methods: combining active space coupled cluster methods with coupled cluster singles, doubles, and perturbative triples.Multireference coupled-cluster study of the symmetry breaking in the C2B radical.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.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.Analysis and classification of symmetry breaking in linear ABA-type triatomics.Analytic gradient for the multireference Brillouin-Wigner coupled cluster method and for the state-universal multireference coupled cluster method.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.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).A simple effective potential for exchange.Multireference coupled-cluster Ansatz
P2860
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P2860
Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples.
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
@zh
2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
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2006年學術文章
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name
Reduced multireference coupled ...... ative corrections for triples.
@en
Reduced multireference coupled ...... ative corrections for triples.
@nl
type
label
Reduced multireference coupled ...... ative corrections for triples.
@en
Reduced multireference coupled ...... ative corrections for triples.
@nl
prefLabel
Reduced multireference coupled ...... ative corrections for triples.
@en
Reduced multireference coupled ...... ative corrections for triples.
@nl
P2860
P356
P1476
Reduced multireference coupled ...... ative corrections for triples.
@en
P2093
Josef Paldus
Xiangzhu Li
P2860
P304
P356
10.1063/1.2194543
P407
P577
2006-05-01T00:00:00Z