about
Proper and improper zero energy modes in Hartree-Fock theory and their relevance for symmetry breaking and restoration.Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation.Polyradical Character of Triangular Non-Kekulé Structures, Zethrenes, p-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study.Restricted Hartree Fock using complex-valued orbitals: a long-known but neglected tool in electronic structure theory.Multi-component symmetry-projected approach for molecular ground state correlations.Excited electronic states from a variational approach based on symmetry-projected Hartree-Fock configurations.Linearized Jastrow-style fluctuations on spin-projected Hartree-Fock.Communication: a Jastrow factor coupled cluster theory for weak and strong electron correlation.Cluster decomposition of full configuration interaction wave functions: A tool for chemical interpretation of systems with strong correlation.Non-orthogonal configuration interaction for the calculation of multielectron excited states.Separation of dynamic and nondynamic correlation.The Jastrow antisymmetric geminal power in Hilbert space: theory, benchmarking, and application to a novel transition state.Projected coupled cluster theory.Communication: Configuration interaction combined with spin-projection for strongly correlated molecular electronic structures.General technique for analytical derivatives of post-projected Hartree-Fock.Evaluation of the quasi correlated tight-binding (QCTB) model for describing polyradical character in polycyclic hydrocarbons.Hartree-Fock symmetry breaking around conical intersections.Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian.Extended Møller-Plesset perturbation theory for dynamical and static correlations.A general spin-complete spin-flip configuration interaction method.Finding symmetry breaking Hartree-Fock solutions: The case of triplet instability.Cubic-scaling algorithm and self-consistent field for the random-phase approximation with second-order screened exchange.Stability of the complex generalized Hartree-Fock equations.Time-dependent projected Hartree-Fock.Communication: the description of strong correlation within self-consistent Green's function second-order perturbation theory.Analytic energy gradient for the projected Hartree-Fock method.Benchmark calculations on the lowest-energy singlet, triplet, and quintet states of the four-electron harmonium atom.Analytic energy gradient of projected Hartree-Fock within projection after variation.Selection of active spaces for multiconfigurational wavefunctions
P2860
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P2860
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Projected Hartree-Fock theory.
@en
Projected Hartree-Fock theory.
@nl
type
label
Projected Hartree-Fock theory.
@en
Projected Hartree-Fock theory.
@nl
prefLabel
Projected Hartree-Fock theory.
@en
Projected Hartree-Fock theory.
@nl
P2093
P2860
P356
P1476
Projected Hartree-Fock theory.
@en
P2093
Carlos A Jiménez-Hoyos
Gustavo E Scuseria
Takashi Tsuchimochi
Thomas M Henderson
P2860
P304
P356
10.1063/1.4705280
P407
P577
2012-04-01T00:00:00Z