๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Parameterized effective potential for molecules and its optimization in the single-determinant approximation

โœ Scribed by V. N. Glushkov; S. I. Fesenko; A. Ya. Tsaune


Book ID
110143268
Publisher
SP MAIK Nauka/Interperiodica
Year
2005
Tongue
English
Weight
150 KB
Volume
98
Category
Article
ISSN
0030-400X

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Structure of the optimized effective Koh
โœ Oleg Gritsenko; Robert van Leeuwen; Evert Jan Baerends ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 880 KB

An analysis of the structure of the optimized effective Kohr-Sham exchange potential v, and its gradient approximations is presented. The potential is decomposed into the Slater potential us and the response of us to density variations, vresp. The latter exhibits peaks that reflect the atomic shell

The padรฉ-approximant method and its appl
โœ A. Pardo; J.J. Camacho; J.M.L. Poyato ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 424 KB

Analytical expressions, self-consistent with experimental data, have been obtained starting from hybrid PMO-RKRvan der Waals potentials for the different isotopic species of lithium hydride. Different power series expansions have been tested; PadB approximants give the best statistical parameters in