๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Effective optimized energy functional in molecular theory

โœ 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

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


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

Optimized molecular integration schemes
โœ Volker Termath; Joachim Sauer ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 576 KB

Recently suggested improvements on molecular quadrature schemes are examined for use in ab initio molecular dynamics. The method is tested on three systems: the water molecule, its proton bound dimer H50~ and a hydrogen bound molecular complex of water. Significant savings over standard procedures f