Accounting for the exact degeneracy and quasidegeneracy in the automerization of cyclobutadiene via multireference coupled-cluster methods.
about
Force field of para- and metabenzyne diradicals: a multireference coupled-cluster study.A truncation hierarchy of coupled cluster models of strongly correlated systems based on perfect-pairing references: the singles+doubles models.General technique for analytical derivatives of post-projected Hartree-Fock.Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with benchmark calculations for biradical transition states.The externally corrected coupled cluster approach with four- and five-body clusters from the CASSCF wave function.Multireference coupled-cluster theory: the easy way.Evaluation of the performance of single root multireference coupled cluster method for ground and excited states, and its application to geometry optimization.Potential energy surface studies via a single root multireference coupled cluster theory.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.Multireference coupled-cluster Ansatz
P2860
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P2860
Accounting for the exact degeneracy and quasidegeneracy in the automerization of cyclobutadiene via multireference coupled-cluster methods.
description
2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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2009年学术文章
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name
Accounting for the exact degen ...... rence coupled-cluster methods.
@en
Accounting for the exact degen ...... rence coupled-cluster methods.
@nl
type
label
Accounting for the exact degen ...... rence coupled-cluster methods.
@en
Accounting for the exact degen ...... rence coupled-cluster methods.
@nl
prefLabel
Accounting for the exact degen ...... rence coupled-cluster methods.
@en
Accounting for the exact degen ...... rence coupled-cluster methods.
@nl
P2860
P356
P1476
Accounting for the exact degen ...... rence coupled-cluster methods.
@en
P2093
Josef Paldus
Xiangzhu Li
P2860
P304
P356
10.1063/1.3225203
P407
P577
2009-09-01T00:00:00Z