Hartree-Fock solutions as a quasidiabatic basis for nonorthogonal configuration interaction.
about
Quantum wavepacket ab initio molecular dynamics: generalizations using an extended Lagrangian treatment of diabatic states coupled through multireference electronic structure.Non-orthogonal configuration interaction for the calculation of multielectron excited states.Spin-flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated molecules.Size consistent formulations of the perturb-then-diagonalize Møller-Plesset perturbation theory correction to non-orthogonal configuration interaction.Hartree-Fock symmetry breaking around conical intersections.σ-SCF: A direct energy-targeting method to mean-field excited states.Analytic derivative couplings and first-principles exciton/phonon coupling constants for an ab initio Frenkel-Davydov exciton model: Theory, implementation, and application to compute triplet exciton mobility parameters for crystalline tetracene.A multireference perturbation method using non-orthogonal Hartree-Fock determinants for ground and excited states.An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings.
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Q42819720-612E6323-4BCA-4C9F-A337-C7486105B105Q46182419-38566CF0-435D-4B42-8278-E1B0580522A8Q46436897-CAA1AC95-3D0C-442C-9CBA-720D42E08229Q46693858-FF112341-AD3C-4651-AD4F-EC7A94E0310AQ48043151-54FB4395-DE05-4C0E-8DA0-AC61E462D8ADQ48046863-14589485-44C2-4A6B-96A7-821F89522C5BQ48048324-8E764EC9-8929-4646-8766-02C561B62F2AQ48915692-0E73738C-9F92-43D5-988A-AB6F7ED6C3DBQ51258771-76B206D3-784E-44F9-8FD8-4A969324CC12
P2860
Hartree-Fock solutions as a quasidiabatic basis for nonorthogonal configuration interaction.
description
2009 nî lūn-bûn
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name
Hartree-Fock solutions as a qu ...... nal configuration interaction.
@en
Hartree-Fock solutions as a qu ...... nal configuration interaction.
@nl
type
label
Hartree-Fock solutions as a qu ...... nal configuration interaction.
@en
Hartree-Fock solutions as a qu ...... nal configuration interaction.
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Hartree-Fock solutions as a qu ...... nal configuration interaction.
@en
Hartree-Fock solutions as a qu ...... nal configuration interaction.
@nl
P2860
P356
P1476
Hartree-Fock solutions as a qu ...... nal configuration interaction.
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P2093
Alex J W Thom
Martin Head-Gordon
P2860
P304
P356
10.1063/1.3236841
P407
P577
2009-09-01T00:00:00Z