๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Correlation effects in calculation of electronic states for model molecular systems

โœ Scribed by H. Chojnacki; Z. Laskowski


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
229 KB
Volume
141
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


A microscopic model for the calculation
โœ Marie Jose Mantione; Jean Pierre Daudey ๐Ÿ“‚ Article ๐Ÿ“… 1970 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 593 KB

A new microscopic model for the quantitative interpretation of solvent effects on molecular eiectrooic spectxa is proposed. The interaction ener& is caicuIated between the solute molecule and a camplet. shell of surrounding solvent nolecutes. The equilibrium configuration is obtained by a procedur

Fluctuation and correlation of electrons
โœ R.F.W. Bader; M.E. Stephens ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 549 KB

It is shown that the fluctuation in the electron population of a region of real space (or loge) provides a measure of the extent of the correlative interactions between the motions of the electrons in that space. The vanishiig of the fluctuation requires that the "correlation hole" for each particle

The additivity of polarization function
โœ Ross H. Nobes; Willem J. Bouma; Leo Radom ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 308 KB

Scvcral cuamplrs UC presented IO show that esllmarcd thud-order MgUcr-Plcwt (hlP3) relative cncrgics obtained horn schcmcs which assume addwwty of corrclz~t~on and poluization function &ccts arc kcly lo pro&k lhc most rcbblc energy compznsons III cxcs whrrc full MP3 c&xdations wtlh polvizstlon bssls