2h-1p Cl calculations of ionization potentials of small molecules: Corrections to the koopmans theorem
- 15 July 1985
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 97 (1) , 95-102
- https://doi.org/10.1016/0301-0104(85)87081-6
Abstract
No abstract availableThis publication has 32 references indexed in Scilit:
- Computational methods for the one-particle green's functionPublished by Elsevier ,2002
- Cl Calculations on the alkaline-earth atoms: A comparison with 2ph-TDA green function resultsChemical Physics, 1985
- Configuration interaction calculations of the valence and the inner valence levels of the CS moleculeInternational Journal of Quantum Chemistry, 1982
- Configuration interaction calculations of satellite structure in photoelectron spectra of H2OChemical Physics, 1982
- The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matricesJournal of Computational Physics, 1975
- Configuration interaction calculations of the satellite peaks in the X-ray photoelectron (ESCA) spectra of H2O, N2, CO, C3O2 and Ni(CO)4Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1975
- A simple explanation of the breakdown of koopmans' theorem for F2 and N2Chemical Physics Letters, 1974
- Direct calculation of ionization energiesMolecular Physics, 1973
- A comparison of different contractions for molecular calculations with gaussian-type functionsTheoretical Chemistry Accounts, 1968
- Gaussian-Type Functions for Polyatomic Systems. IThe Journal of Chemical Physics, 1965