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Non-Ewald methods: theory and applications to molecular systems

โœ Scribed by Ikuo Fukuda, Haruki Nakamura


Book ID
118829104
Publisher
Springer-Verlag
Year
2012
Tongue
English
Weight
292 KB
Volume
4
Category
Article
ISSN
1867-2450

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The optimized effective potential method
โœ T. Grabo; E. K. U. Gross ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 211 KB ๐Ÿ‘ 2 views

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