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Multireference nature of chemistry: The coupled-cluster view
Multireference Nature of Chemistry: The Coupled-Cluster View | Chemical Reviews Recently
Viewedclose modal ACS ACS Publications C&EN CAS Find my institution Log In ACS …
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Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches
The recently developed new approach to the many-electron correlation problem in atoms
and molecules, termed the method of moments of coupled-cluster (CC) equations (MMCC) …
and molecules, termed the method of moments of coupled-cluster (CC) equations (MMCC) …
The ground state electronic energy of benzene
We report on the findings of a blind challenge devoted to determining the frozen-core, full
configuration interaction (FCI) ground-state energy of the benzene molecule in a standard …
configuration interaction (FCI) ground-state energy of the benzene molecule in a standard …
A critical assessment of coupled cluster method in quantum chemistry
J Paldus, X Li - Advances in Chemical Physics, 1999 - books.google.com
Abstract I. Introduction A. Historical Outline B. Scope of the Review II. Methodology A. Basic
Notation: Second vs. First Quantization B. Many-Body Perturbation Theory (MBPT): Origins …
Notation: Second vs. First Quantization B. Many-Body Perturbation Theory (MBPT): Origins …
The method of moments of coupled-cluster equations and the renormalized CCSD [T], CCSD (T), CCSD (TQ), and CCSDT (Q) approaches
This paper is the first in a series of papers on the new approach to the many-electron
correlation problem, termed the method of moments of coupled-cluster equations (MMCC). A …
correlation problem, termed the method of moments of coupled-cluster equations (MMCC). A …
Coupled-cluster methods with internal and semi-internal triply and quadruply excited clusters: and approaches
Extension of the closed-shell coupled-cluster (CC) theory to studies of bond breaking and
general quasidegenerate situations requires the inclusion of the connected triply and …
general quasidegenerate situations requires the inclusion of the connected triply and …
Reduced multireference CCSD method: An effective approach to quasidegenerate states
X Li, J Paldus - The Journal of chemical physics, 1997 - pubs.aip.org
Standard multireference (MR) coupled cluster (CC) approaches are based on the effective
Hamiltonian formalism and generalized Bloch equation. Their implementation, relying on the …
Hamiltonian formalism and generalized Bloch equation. Their implementation, relying on the …
Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states
The method of moments of coupled-cluster equations (MMCC), which provides a systematic
way of improving the results of the standard coupled-cluster (CC) and equation-of-motion …
way of improving the results of the standard coupled-cluster (CC) and equation-of-motion …
An efficient way to include connected quadruple contributions into the coupled cluster method
SA Kucharski, RJ Bartlett - The Journal of chemical physics, 1998 - pubs.aip.org
The general inclusion of the T 4 operator into the coupled cluster equations requires an n 10
computational procedure, and even n 9 in the lowest order, as in the CCSDTQ-1 (coupled …
computational procedure, and even n 9 in the lowest order, as in the CCSDTQ-1 (coupled …
[HTML][HTML] Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions
We propose to accelerate convergence toward full configuration interaction (FCI) energetics
by using the coupled-cluster approach, in which singly and doubly excited clusters, needed …
by using the coupled-cluster approach, in which singly and doubly excited clusters, needed …