A state-specific partially internally contracted multireference coupled cluster approach.
about
C2 in a Box: Determining Its Intrinsic Bond Strength for the X(1)Σg(+) Ground State.A time-dependent formulation of multi-reference perturbation theory.A fusion of the closed-shell coupled cluster singles and doubles method and valence-bond theory for bond breaking.Communication: multireference equation of motion coupled cluster: a transform and diagonalize approach to electronic structure.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.Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes.Additional global internal contraction in variations of multireference equation of motion coupled cluster theory.Driven similarity renormalization group: Third-order multireference perturbation theory.Perturbative treatment of triple excitations in internally contracted multireference coupled cluster theory.Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators.A general non-Abelian density matrix renormalization group algorithm with application to the C2 dimer.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.Density cumulant functional theory: the DC-12 method, an improved description of the one-particle density matrix.Multireference equation-of-motion coupled cluster theory.Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: excited and ionized state energies.Unitary group adapted state-specific multi-reference coupled cluster theory: formulation and pilot numerical applications.Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition.An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory.Orbital-optimized density cumulant functional theory.
P2860
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P2860
A state-specific partially internally contracted multireference coupled cluster approach.
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年学术文章
@wuu
2011年学术文章
@zh-cn
2011年学术文章
@zh-hans
2011年学术文章
@zh-my
2011年学术文章
@zh-sg
2011年學術文章
@yue
2011年學術文章
@zh
2011年學術文章
@zh-hant
name
A state-specific partially internally contracted multireference coupled cluster approach.
@en
A state-specific partially internally contracted multireference coupled cluster approach.
@nl
type
label
A state-specific partially internally contracted multireference coupled cluster approach.
@en
A state-specific partially internally contracted multireference coupled cluster approach.
@nl
prefLabel
A state-specific partially internally contracted multireference coupled cluster approach.
@en
A state-specific partially internally contracted multireference coupled cluster approach.
@nl
P2860
P356
P1476
A state-specific partially internally contracted multireference coupled cluster approach
@en
P2093
Liguo Kong
Marcel Nooijen
P2860
P304
P356
10.1063/1.3592494
P407
P577
2011-06-01T00:00:00Z