Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. IV. Perturbative analysis.
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Universal perturbative explicitly correlated basis set incompleteness correction.A novel interpretation of reduced density matrix and cumulant for electronic structure theories.Activation energies of sigmatropic shifts in propene and acetone enolate from the anti-Hermitian contracted Schrödinger equation.Analytic gradients for density cumulant functional theory: the DCFT-06 model.Density cumulant functional theory from a unitary transformation: N-representability, three-particle correlation effects, and application to O4(+).Density cumulant functional theory: the DC-12 method, an improved description of the one-particle density matrix.Orbital-optimized density cumulant functional theory.Computation of dipole, quadrupole, and octupole surfaces from the variational two-electron reduced density matrix method.An algebraic proof of generalized Wick theorem.Conical intersections in triplet excited states of methylene from the anti-Hermitian contracted Schrödinger equation.Cumulant decomposition of reduced density matrices, multireference normal ordering, and Wicks theorem: A spin-free approach.Electronic excited-state energies from a linear response theory based on the ground-state two-electron reduced density matrix.Cumulant reconstruction of the three-electron reduced density matrix in the anti-Hermitian contracted Schrödinger equation.Two-electron reduced density matrices from the anti-Hermitian contracted Schrodinger equation: enhanced energies and properties with larger basis sets.Molecular properties from variational reduced-density-matrix theory with three-particle N-representability conditions.Anti-hermitian contracted schrödinger equation: direct determination of the two-electron reduced density matrices of many-electron molecules.The cumulant two-particle reduced density matrix as a measure of electron correlation and entanglement.Density-cumulant functional theory.Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. III. Systems of noninteracting electrons.
P2860
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P2860
Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. IV. Perturbative analysis.
description
2004 nî lūn-bûn
@nan
2004年の論文
@ja
2004年学术文章
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2004年学术文章
@zh
2004年学术文章
@zh-cn
2004年学术文章
@zh-hans
2004年学术文章
@zh-my
2004年学术文章
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2004年學術文章
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name
Irreducible Brillouin conditio ...... ms. IV. Perturbative analysis.
@en
Irreducible Brillouin conditio ...... ms. IV. Perturbative analysis.
@nl
type
label
Irreducible Brillouin conditio ...... ms. IV. Perturbative analysis.
@en
Irreducible Brillouin conditio ...... ms. IV. Perturbative analysis.
@nl
prefLabel
Irreducible Brillouin conditio ...... ms. IV. Perturbative analysis.
@en
Irreducible Brillouin conditio ...... ms. IV. Perturbative analysis.
@nl
P356
P1476
Irreducible Brillouin conditio ...... ms. IV. Perturbative analysis.
@en
P2093
Debashis Mukherjee
Werner Kutzelnigg
P304
P356
10.1063/1.1652490
P407
P577
2004-04-01T00:00:00Z