Study of the semiempirical HAM/3 MO method
- 1 February 1979
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 51 (1), 55-64
- https://doi.org/10.1007/bf02399130
Abstract
No abstract availableKeywords
This publication has 48 references indexed in Scilit:
- Ionization energies of water from PNO-CI calculationsInternational Journal of Quantum Chemistry, 2009
- Valence excitation of linear molecules.I. Excitation and UV spectra of N2, Co, acetylene and HCNChemical Physics, 1978
- HAM/3, a semi-empirical MO theory. II. Photoelectron spectraChemical Physics Letters, 1977
- HAM/3, a semi-empirical MO theory. I. The SCF methodChemical Physics Letters, 1977
- On the accuracy of ionization potentials calculated by Green’s functionsThe Journal of Chemical Physics, 1977
- HAM/3, a semi-empirical MO theory. III. Unoccupied orbitalsChemical Physics Letters, 1977
- CNDO/S studies on the electronic structure of carbazoles. I. The parent moleculeThe Journal of Chemical Physics, 1977
- Perturbation corrections to Koopmans' theorem. I. Double-zeta Slater-type-orbital basisThe Journal of Chemical Physics, 1974
- Atomic and molecular electronic spectra and properties from the electron propagatorThe Journal of Chemical Physics, 1974
- Theoretical studies of molecular ions. Vertical ionization potentials of the nitrogen moleculeChemical Physics Letters, 1974