Direct calculation of ionization energies. Transition operator for the ΔESCF method
- 1 September 1973
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 22 (1) , 167-171
- https://doi.org/10.1016/0009-2614(73)80562-7
Abstract
No abstract availableKeywords
This publication has 18 references indexed in Scilit:
- On the breakdown of the Koopmans' theorem for nitrogenChemical Physics Letters, 1973
- Atomic Central-Field Models for Open Shells with Application to Transition MetalsPhysical Review A, 1972
- Localized and Delocalized 1s Hole States of the O 2 + Molecular IonThe Journal of Chemical Physics, 1972
- Ionization potentials of ferrocene and Koopmans' theorem. Anab initio LCAO-MO-SCF calculationTheoretical Chemistry Accounts, 1972
- Statistical Exchange-Correlation in the Self-Consistent FieldPublished by Elsevier ,1972
- Direct Near-Hartree–Fock Calculations on the 1s Hole States of NO+The Journal of Chemical Physics, 1971
- Nonintegral Occupation Numbers in Transition Atoms in CrystalsPhysical Review B, 1969
- Self-Consistent-Field Wave Functions for Hole States of Some Ne-Like and Ar-Like IonsPhysical Review B, 1965
- Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational InteractionPhysical Review B, 1955
- Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines AtomsPhysica, 1934