State specific equation of motion coupled cluster method in general active space.
about
Analytic gradients for the state-specific multireference coupled cluster singles and doubles model.A novel interpretation of reduced density matrix and cumulant for electronic structure theories.Communication: multireference equation of motion coupled cluster: a transform and diagonalize approach to electronic structure.pCCSD: parameterized coupled-cluster theory with single and double excitations.A toolchain for the automatic generation of computer codes for correlated wavefunction calculations.Application of multireference equation of motion coupled-cluster theory to transition metal complexes and an orbital selection scheme for the efficient calculation of excitation energies.Additional global internal contraction in variations of multireference equation of motion coupled cluster theory.De-perturbative corrections for charge-stabilized double ionization potential equation-of-motion coupled-cluster method.Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory.Molecular response properties in equation of motion coupled cluster theory: A time-dependent perspective.Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group.An orbital-invariant internally contracted multireference coupled cluster approach.Excited states with internally contracted multireference coupled-cluster linear response theory.Density cumulant functional theory: the DC-12 method, an improved description of the one-particle density matrix.Multireference equation-of-motion coupled cluster theory.Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: excited and ionized state energies.Unitary group adapted state-specific multi-reference coupled cluster theory: formulation and pilot numerical applications.A state-specific partially internally contracted multireference coupled cluster approach.An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory.Orbital-optimized density cumulant functional theory.An algebraic proof of generalized Wick theorem.Excited and ionized states of the ozone molecule with full triples coupled cluster methods.Cumulant decomposition of reduced density matrices, multireference normal ordering, and Wicks theorem: A spin-free approach.
P2860
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P2860
State specific equation of motion coupled cluster method in general active space.
description
2009 nî lūn-bûn
@nan
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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2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
@yue
2009年學術文章
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name
State specific equation of motion coupled cluster method in general active space.
@en
State specific equation of motion coupled cluster method in general active space.
@nl
type
label
State specific equation of motion coupled cluster method in general active space.
@en
State specific equation of motion coupled cluster method in general active space.
@nl
prefLabel
State specific equation of motion coupled cluster method in general active space.
@en
State specific equation of motion coupled cluster method in general active space.
@nl
P2093
P2860
P356
P1476
State specific equation of motion coupled cluster method in general active space.
@en
P2093
K R Shamasundar
Liguo Kong
Marcel Nooijen
Ondrej Demel
P2860
P304
P356
10.1063/1.3089302
P407
P577
2009-03-01T00:00:00Z