NASA NTRS · 19820052764
Perturbation corrections to Koopmans' theorem. V - A study with large basis sets
Abstract
The vertical ionization potentials of N2, F2 and H2O were calculated by perturbation corrections to Koopmans' theorem using six different basis sets. The largest set used includes several sets of polarization functions. Comparison is made with measured values and with results of computations using Green's functions.
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Chong, D. P., Langhoff, S. R.. 1982-05-15. Perturbation corrections to Koopmans' theorem. V - A study with large basis sets. https://ntrs.nasa.gov/citations/19820052764
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