A non-local representation of the effective potential due to a molecular fragment
- 1 October 1993
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 86 (6) , 451-465
- https://doi.org/10.1007/bf01113944
Abstract
No abstract availableKeywords
This publication has 37 references indexed in Scilit:
- A representation of the exchange operator useful for large moleculesTheoretical Chemistry Accounts, 1991
- MRD‐CI calculations of proton affinity within the ab initio method for approximation of the frozen molecular fragmentJournal of Computational Chemistry, 1990
- Extended Mulliken electron population analysisThe Journal of Chemical Physics, 1990
- The a b i n i t i o model potential method. Main group elementsThe Journal of Chemical Physics, 1987
- A valence-space-only approach to the calculation of the electronic structure of many electron systemsMolecular Physics, 1986
- Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitalsThe Journal of Chemical Physics, 1985
- Valence effective Hamiltonian technique for nitrogen containing polymers: Electronic structure of polypyrrole, pyrolized polyacrylonitrile, paracyanogen, polymethineimine, and derivativesThe Journal of Chemical Physics, 1983
- A nonempirical effective Hamiltonian technique for polymers: Application to polyacetylene and polydiacetyleneThe Journal of Chemical Physics, 1981
- Some Recent Advances in Density Matrix TheoryReviews of Modern Physics, 1960
- Construction of Some Molecular Orbitals to Be Approximately Invariant for Changes from One Molecule to AnotherReviews of Modern Physics, 1960