Using the optimized effective potential method in conjunction with the semianalytical approximation due to Krieger, Li, and Iafrate, we performed fully selfconsistent exact exchange-only density functional calculations for diatomic molecules with a fully numerical basis-set-free molecular code. The
โฆ LIBER โฆ
Effective optimized energy functional in molecular theory
โ Scribed by A. V. Glushkov
- Book ID
- 104926559
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1990
- Tongue
- English
- Weight
- 338 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0022-4766
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