Ab initio calculations of the pi electron hamiltonian: singlet-triplet splittings
- 15 September 1974
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 28 (2) , 176-178
- https://doi.org/10.1016/0009-2614(74)80045-x
Abstract
No abstract availableThis publication has 14 references indexed in Scilit:
- Theoretical foundations of purely semiempirical quantum chemistryThe Journal of Chemical Physics, 1974
- Theoretical foundations of purely semi-empirical quantum chemistry. II. Molecular propertiesChemical Physics, 1974
- Theoretical Foundations Of Purely Semi-Empirical Quantum Chemistry. III. Repulsion IntegralsChemical Physics Letters, 1974
- 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
- Further Significance of the Pariser Method for Evaluation of the One-Center Electron Repulsion IntegralThe Journal of Chemical Physics, 1971
- Virtual Orbitals in Hartree-Fock TheoryPhysical Review A, 1970
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969
- 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