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Primitive exchange perturbation theory, IV

โœ Scribed by Joseph O. Hirschfelder

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
555 KB
Volume
5
Category
Article
ISSN
0020-7608

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## Abstract Energyโ€shifted perturbation theory is studied in connection with corrections to Koopmans' theorem. The first three vertical Ionization potentials of N~2~, C~2~H~2~, and HCN are computed with basis sets of doubleโ€zeta Gaussianโ€type orbitals and doubleโ€zeta GTO plus polarization functions