The transformation of CAS SCF wavefunctions to valence bond space
- 11 December 1987
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 142 (3-4) , 131-135
- https://doi.org/10.1016/0009-2614(87)80909-0
Abstract
No abstract availableKeywords
This publication has 4 references indexed in Scilit:
- The electronic structure of 1,3-dipoles: spin-coupled descriptions of nitrone and diazomethaneChemical Physics Letters, 1987
- Orthogonalized atomic orbitals and the interpretation of valence bond wavefunctionsChemical Physics Letters, 1987
- Transition structure in a diabatic surface formalismJournal of Computational Chemistry, 1987
- An intrinsic localization procedure for active CAS SCF orbitalsChemical Physics Letters, 1986