Coupled cluster methods including triple excitations for excited states of radicals.
about
Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals.Optical spectra of the silicon-terminated carbon chain radicals SiCnH (n = 3,4,5).Theoretical and numerical assessments of spin-flip time-dependent density functional theory.The lowest 2A' excited state of the water-hydroxyl complex.A benchmark study of the vertical electronic spectra of the linear chain radicals C(2)H and C(4)H.Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems.The effect of oxidation on the electronic structure of the green fluorescent protein chromophore.A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutions.Symmetry breaking and spectral considerations of the surprisingly floppy c-C3H radical and the related dipole-bound excited state of c-C3H.Molecular response properties from a Hermitian eigenvalue equation for a time-periodic Hamiltonian.Coupled-cluster dynamic polarizabilities including triple excitations.Higher-order equation-of-motion coupled-cluster methods for electron attachment.Efficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods.Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt.Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules.
P2860
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P2860
Coupled cluster methods including triple excitations for excited states of radicals.
description
2005 nî lūn-bûn
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2005年の論文
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2005年学术文章
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name
Coupled cluster methods including triple excitations for excited states of radicals.
@en
Coupled cluster methods including triple excitations for excited states of radicals.
@nl
type
label
Coupled cluster methods including triple excitations for excited states of radicals.
@en
Coupled cluster methods including triple excitations for excited states of radicals.
@nl
prefLabel
Coupled cluster methods including triple excitations for excited states of radicals.
@en
Coupled cluster methods including triple excitations for excited states of radicals.
@nl
P2093
P2860
P356
P1476
Coupled cluster methods including triple excitations for excited states of radicals.
@en
P2093
Christopher E Smith
Rollin A King
T Daniel Crawford
P2860
P356
10.1063/1.1835953
P407
P577
2005-02-01T00:00:00Z