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Improved virtual orbitals in the potential of the SCF ion

✍ Scribed by K. Hirao; S. Huzinaga

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
269 KB
Volume
45
Category
Article
ISSN
0009-2614

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✦ Synopsis

We show that if excited states are to be calculated in the improved virtual orbital approach, it would be better to generate the virtual orbitals in the potential of the SCF ion rather than the Koopmans' theorem ion.

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