[HTML][HTML] Open-shell coupled-cluster valence-bond theory augmented with an independent amplitude approximation for three-pair correlations: Application to a model …
We report the failure of coupled-cluster valence-bond (CCVB) theory with two-pair
configurations [DW Small and M. Head-Gordon, J. Chem. Phys. 130, 084103 (2009)] for …
configurations [DW Small and M. Head-Gordon, J. Chem. Phys. 130, 084103 (2009)] for …
The externally corrected coupled cluster approach with four-and five-body clusters from the CASSCF wave function
E Xu, S Li - The Journal of chemical physics, 2015 - pubs.aip.org
An externally corrected CCSDt (coupled cluster with singles, doubles, and active triples)
approach employing four-and five-body clusters from the complete active space self …
approach employing four-and five-body clusters from the complete active space self …
Investigation of Multiple-Bond Dissociation Using Brillouin–Wigner Perturbation with Improved Virtual Orbitals
S Chattopadhyay - The Journal of Physical Chemistry A, 2020 - ACS Publications
An improved virtual orbital complete active space configuration interaction reference
function-based multireference Brillouin–Wigner perturbation approach (IVO-BWMRPT) that …
function-based multireference Brillouin–Wigner perturbation approach (IVO-BWMRPT) that …
[图书][B] Postmodern Electronic Structure Theory
J Lee - 2019 - search.proquest.com
This dissertation is concerned with the development and applications of approaches to the
electron correlation problem. We start with an introduction that summarizes modern …
electron correlation problem. We start with an introduction that summarizes modern …