Use of cluster expansion methods in the open-shell correlation problem
Publisher Summary This chapter discusses the developments of the open-shell many-body
cluster expansion theories. Interpretation of most of the spectroscopic and dynamical …
cluster expansion theories. Interpretation of most of the spectroscopic and dynamical …
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) …
Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH + , CO, and H2O
The linear response function for a coupled cluster singles and doubles wave function is
used to calculate vertical electronic energies for the closed shell system Be, CH+, CO, and H …
used to calculate vertical electronic energies for the closed shell system Be, CH+, CO, and H …
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 …
A size-consistent state-specific multireference coupled cluster theory: Formal developments and molecular applications
US Mahapatra, B Datta, D Mukherjee - The Journal of chemical physics, 1999 - pubs.aip.org
In this paper we present a comprehensive account of a manifestly size-consistent coupled
cluster formalism for a specific state, which is based on a reference function composed of …
cluster formalism for a specific state, which is based on a reference function composed of …
A state‐selective multireference coupled‐cluster theory employing the single‐reference formalism
A new state-selective multireference (MR) coupled-cluster (CC) method exploiting the single-
reference (SR) particle-hole formalism'is described. It is an extension of a simple two …
reference (SR) particle-hole formalism'is described. It is an extension of a simple two …
Multireference coupled‐cluster method using a single‐reference formalism
N Oliphant, L Adamowicz - The Journal of chemical physics, 1991 - pubs.aip.org
A multireference coupled‐cluster singles and doubles method utilizing two reference
determinants which differ by a two electron excitation is proposed. One of these …
determinants which differ by a two electron excitation is proposed. One of these …
Many‐body symmetry‐adapted perturbation theory of intermolecular interactions. H2O and HF dimers
A many‐body version of the symmetry‐adapted perturbation theory is developed for a direct
calculation of intermolecular potentials as a sum of the electrostatic, exchange, induction …
calculation of intermolecular potentials as a sum of the electrostatic, exchange, induction …
Application of Hilbert-space coupled-cluster theory to simple ( model systems: Planar models
The recently developed explicit formalism of orthogonally-spin-adapted, Hilbert-space (or
state-universal), multireference (MR), coupled-cluster (CC) theory, exploiting the model …
state-universal), multireference (MR), coupled-cluster (CC) theory, exploiting the model …
Coupling term derivation and general implementation of state-specific multireference coupled cluster theories
Simple closed-form expressions are derived for the “same vacuum” renormalization terms
that arise in state-specific multireference coupled cluster (MRCC) theories. Explicit …
that arise in state-specific multireference coupled cluster (MRCC) theories. Explicit …