Ionization energies of open-shell molecules in the frozen orbital approximation
- 23 August 1975
- journal article
- Published by Taylor & Francis in Molecular Physics
- Vol. 30 (2) , 389-403
- https://doi.org/10.1080/00268977500102011
Abstract
No abstract availableThis publication has 15 references indexed in Scilit:
- The coefficients of fractional parentage for ionization of partly filled f shells compared with photoelectron spectra of lanthanide compounds and metalsChemical Physics Letters, 1973
- On band intensities in the photoelectron spectra of open-shell molecules, IIChemical Physics Letters, 1972
- Orbital energies and Koopmans' theorem in open-shell Hartree-Fock theoryChemical Physics Letters, 1972
- The Helium-(I) photoelectron spectrum of vanadium tetrachlorideChemical Physics Letters, 1970
- On band intensities in the photoelectron spectra of open-shell moleculesChemical Physics Letters, 1970
- A new SCF procedure and its applications to ab initio calculations of the states of the fluorosulphate radicalInternational Journal of Quantum Chemistry, 1970
- Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular IonsThe Journal of Chemical Physics, 1966
- Self-Consistent Field Theory for Open Shells of Electronic SystemsReviews of Modern Physics, 1960
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951
- Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines AtomsPhysica, 1934