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
β¦ LIBER β¦
Tests and applications for atoms of an optimized semiexplicit density functional method
β Scribed by I. Porras
- Publisher
- Springer
- Year
- 2009
- Tongue
- English
- Weight
- 209 KB
- Volume
- 46
- Category
- Article
- ISSN
- 0259-9791
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