A state-specific approach to multireference coupled electron-pair approximation like methods: development and applications.
about
New coupled cluster approaches based on the unrestricted Hartree-Fock reference for treating molecules with multireference character.Towards the multireference Brillouin-Wigner coupled-clusters method with iterative connected triples: MR BWCCSDT-alpha approximation.Force field of para- and metabenzyne diradicals: a multireference coupled-cluster study.Cholesky decomposition within local multireference singles and doubles configuration interaction.Accounting for the exact degeneracy and quasidegeneracy in the automerization of cyclobutadiene via multireference coupled-cluster methods.Dynamical second-order Bethe-Salpeter equation kernel: a method for electronic excitation beyond the adiabatic approximation.Multi-reference state-universal coupled-cluster approaches to electronically excited states.A truncation hierarchy of coupled cluster models of strongly correlated systems based on perfect-pairing references: the singles+doubles models.Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods.Restoring the size consistency of multireference configuration interactions through class dressings: applications to ground and excited states.Linear scaling multireference singles and doubles configuration interaction.Multi-state effective Hamiltonian and size-consistency corrections in stochastic configuration interactions.A spin-adapted size-extensive state-specific multi-reference perturbation theory. I. Formal developments.Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the formula for general active spaces and its applications for multibond breaking systems.Block correlated coupled cluster theory with a complete active-space self-consistent-field reference function: the formulation and test applications for single bond breaking.Development and applications of a unitary group adapted state specific multi-reference coupled cluster theory with internally contracted treatment of inactive double excitations.Unitary group adapted state-specific multi-reference coupled cluster theory: formulation and pilot numerical applications.The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theory.Multireference general-model-space state-universal and state-specific coupled-cluster approaches to excited states.Discontinuities-free complete-active-space state-specific multi-reference coupled cluster theory for describing bond stretching and dissociation.
P2860
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P2860
A state-specific approach to multireference coupled electron-pair approximation like methods: development and applications.
description
2004 nî lūn-bûn
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2004年の論文
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2004年学术文章
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2004年学术文章
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2004年学术文章
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2004年学术文章
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name
A state-specific approach to m ...... development and applications.
@en
A state-specific approach to m ...... development and applications.
@nl
type
label
A state-specific approach to m ...... development and applications.
@en
A state-specific approach to m ...... development and applications.
@nl
prefLabel
A state-specific approach to m ...... development and applications.
@en
A state-specific approach to m ...... development and applications.
@nl
P2093
P2860
P356
P1476
A state-specific approach to m ...... development and applications.
@en
P2093
Debashis Mukherjee
Dola Pahari
Sudip Chattopadhyay
Uttam Sinha Mahapatra
P2860
P304
P356
10.1063/1.1650328
P407
P577
2004-04-01T00:00:00Z