A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutions.
about
Properties and reactivity of gaseous distonic radical ions with aryl radical sitesNew implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations.A simplified ab initio treatment of diradicaloid structures produced from stretching and breaking chemical bonds.State-specific multireference perturbation theory with improved virtual orbitals: taming the ground state of F2 , Be2, and N2.Analytic gradients for the state-specific multireference coupled cluster singles and doubles model.Perturbative triples correction for the equation-of-motion coupled-cluster wave functions with single and double substitutions for ionized states: Theory, implementation, and examples.Coupled-cluster based approach for core-level states in condensed phase: Theory and application to different protonated forms of aqueous glycine.Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods.Electron affinity and excited states of methylglyoxal.Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions.Using the charge-stabilization technique in the double ionization potential equation-of-motion calculations with dianion references.Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples.General formulation of spin-flip time-dependent density functional theory using non-collinear kernels: theory, implementation, and benchmarks.Non-iterative triple excitations in equation-of-motion coupled-cluster theory for electron attachment with applications to bound and temporary anions.Photoelectron spectroscopy of isolated luciferin and infraluciferin anions in vacuo: competing photodetachment, photofragmentation and internal conversion.Perturbative treatment of triple excitations in internally contracted multireference coupled cluster theory.A general spin-complete spin-flip configuration interaction method.Coupled-cluster representation of Green function employing modified spectral resolutions of similarity transformed Hamiltonians.Static polarizabilities for excited states within the spin-conserving and spin-flipping equation-of-motion coupled-cluster singles and doubles formalism: Theory, implementation, and benchmarks.Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer.Speeding up equation of motion coupled cluster theory with the chain of spheres approximation.Singlet-triplet gaps in polyacenes: a delicate balance between dynamic and static correlations investigated by spin-flip methods.Excited states with internally contracted multireference coupled-cluster linear response theory.Perturbative triples corrections in state-specific multireference coupled cluster theory.Nested variant of the method of moments of coupled cluster equations for vertical excitation energies and excited-state potential energy surfaces.A noniterative asymmetric triple excitation correction for the density-fitted coupled-cluster singles and doubles method: Preliminary applications.
P2860
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P2860
A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutions.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
A noniterative perturbative tr ...... ngle and double substitutions.
@en
A noniterative perturbative tr ...... ngle and double substitutions.
@nl
type
label
A noniterative perturbative tr ...... ngle and double substitutions.
@en
A noniterative perturbative tr ...... ngle and double substitutions.
@nl
prefLabel
A noniterative perturbative tr ...... ngle and double substitutions.
@en
A noniterative perturbative tr ...... ngle and double substitutions.
@nl
P2860
P356
P1476
A noniterative perturbative tr ...... ngle and double substitutions.
@en
P2093
Prashant U Manohar
P2860
P304
P356
10.1063/1.3013087
P407
P577
2008-11-01T00:00:00Z