Multireference equation-of-motion coupled cluster theory.
about
Communication: multireference equation of motion coupled cluster: a transform and diagonalize approach to electronic structure.A toolchain for the automatic generation of computer codes for correlated wavefunction calculations.Application of multireference equation of motion coupled-cluster theory to transition metal complexes and an orbital selection scheme for the efficient calculation of excitation energies.A Lagrange multiplier approach for excited state properties through intermediate Hamiltonian formulation of Fock space multireference coupled-cluster theory.Additional global internal contraction in variations of multireference equation of motion coupled cluster theory.A low-cost approach to electronic excitation energies based on the driven similarity renormalization group.Driven similarity renormalization group: Third-order multireference perturbation theory.Automatic active space selection for the similarity transformed equations of motion coupled cluster method.Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators.Density-matrix renormalization group algorithm with multi-level active space.Analytic first derivatives for a spin-adapted open-shell coupled cluster theory: evaluation of first-order electrical properties.A driven similarity renormalization group approach to quantum many-body problems.Excited states with internally contracted multireference coupled-cluster linear response theory.Adaptive multiconfigurational wave functions.Relativistic state-specific multireference coupled cluster theory description for bond-breaking energy surfaces.An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory.
P2860
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P2860
Multireference equation-of-motion coupled cluster theory.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年学术文章
@wuu
2012年学术文章
@zh
2012年学术文章
@zh-cn
2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
@zh-sg
2012年學術文章
@yue
2012年學術文章
@zh-hant
name
Multireference equation-of-motion coupled cluster theory.
@en
Multireference equation-of-motion coupled cluster theory.
@nl
type
label
Multireference equation-of-motion coupled cluster theory.
@en
Multireference equation-of-motion coupled cluster theory.
@nl
prefLabel
Multireference equation-of-motion coupled cluster theory.
@en
Multireference equation-of-motion coupled cluster theory.
@nl
P2860
P356
P1476
Multireference equation-of-motion coupled cluster theory
@en
P2093
Marcel Nooijen
P2860
P304
P356
10.1063/1.4766361
P407
P577
2012-11-01T00:00:00Z