SCF CI calculations of the K-shell ionization potential of carbon in methane and in the fluoromethanes
- 31 December 1974
- journal article
- Published by Elsevier in Journal of Electron Spectroscopy and Related Phenomena
- Vol. 4 (1) , 13-23
- https://doi.org/10.1016/0368-2048(74)80039-3
Abstract
No abstract availableKeywords
This publication has 18 references indexed in Scilit:
- PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methaneThe Journal of Chemical Physics, 1973
- Electronic structure of molecules. XVI. Analysis of the formation of the methane molecule in the Hartree-Fock modelJournal of the American Chemical Society, 1972
- Study of the electronic structure of molecules. XV. Comments on the molecular orbital valency state and on the molecular orbital energiesInternational Journal of Quantum Chemistry, 1972
- All electron calculations of open‐shell polyatomic molecules. III. Perturbation treatment of the spin polarization in vinyl and methyl radicalsInternational Journal of Quantum Chemistry, 1972
- Ionisationspotentiale des MethansTheoretical Chemistry Accounts, 1971
- The Use of Perturbation Methods for the Study of the Effects of Configuration InteractionInternational Journal of Quantum Chemistry, 1967
- Analytic Self-Consistent Field Wavefunctions and Computed Properties for Homonuclear Diatomic MoleculesThe Journal of Chemical Physics, 1964
- Studies in Molecular Structure. II. LCAO-MO-SCF Wave Functions for Selected First-Row Diatomic MoleculesReviews of Modern Physics, 1960
- Configuration interaction in orbital theoriesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1955
- The Stark Effect from the Point of View of Schroedinger's Quantum TheoryPhysical Review B, 1926