Spin-Coupled Generalized Valence Bond Theory: New Perspect i ves on the Electronic Structure of Molecules and Chemical Bonds
TH Dunning Jr, LT Xu, DL Cooper… - The Journal of …, 2021 - ACS Publications
Spin-Coupled Generalized Valence Bond (SCGVB) theory provides the foundation for a
comprehensive theory of the electronic structure of molecules. SCGVB theory offers a …
comprehensive theory of the electronic structure of molecules. SCGVB theory offers a …
Prediction of correlation energies using variational subspace valence bond
GD Fletcher, C Bertoni, M Keceli… - The Journal of Chemical …, 2022 - pubs.aip.org
In the variational subspace valence bond (VSVB)[GD Fletcher, J. Chem. Phys. 142, 134112
(2015)] method, the electronic orbitals comprising the wave function correspond to …
(2015)] method, the electronic orbitals comprising the wave function correspond to …
Spin-Coupled Generalized Valence Bond Theory: An Appealing Orbital Theory of the Electronic Structure of Atoms and Molecules
T Dunning, D Cooper, L Xu, P Karadakov - 2022 - chemrxiv.org
This chapter outlines the basic elements of Spin-Coupled Generalized Valence Bond
(SCGVB) theory, including the structure of the SCGVB wavefunction as well as its …
(SCGVB) theory, including the structure of the SCGVB wavefunction as well as its …