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Optimized effective atomic central potential

✍ Scribed by Talman, James; Shadwick, William

Book ID
115507933
Publisher
The American Physical Society
Year
1976
Tongue
English
Weight
377 KB
Volume
14
Category
Article
ISSN
1050-2947

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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