Theoretical Foundations Of Purely Semi-Empirical Quantum Chemistry. III. Repulsion Integrals
- 15 January 1974
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 24 (2) , 275-279
- https://doi.org/10.1016/0009-2614(74)85450-3
Abstract
No abstract availableKeywords
This publication has 8 references indexed in Scilit:
- Valence orbital behaviour during changes in intermolecular separation. Comparison of models based on the empirical united atom theory and on the semi-empirical CNDO/BW theoryJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1973
- Towards an ab initio determinition of all the parameters which appear in semi-empirical quantum chemical theoriesChemical Physics Letters, 1972
- A derivation of the exact pi-electron hamiltonianChemical Physics Letters, 1972
- Many-Body Theories of the Electronic Structure of Atoms and MoleculesAnnual Review of Physical Chemistry, 1971
- Theory of n to π* TransitionsThe Journal of Chemical Physics, 1971
- On the development of semiempirical methods in the MO formalismTheoretical Chemistry Accounts, 1969
- Sigma and Pi Changes in Valence States of Pi-Electron Theory and One-Center Coulomb Repulsion ParametersThe Journal of Chemical Physics, 1965
- An Improvement in the π-Electron Approximation in LCAO MO TheoryThe Journal of Chemical Physics, 1953