๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Influence of electronic correlation inab initiocalculations of relative energy characteristics of hydrides of light elements

โœ Scribed by A. S. Zyubin; G. M. Chaban; A. A. Gorbik; O. P. Charkin


Book ID
104933873
Publisher
SP MAIK Nauka/Interperiodica
Year
1986
Tongue
English
Weight
470 KB
Volume
26
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Electron correlation and relative energe
โœ R. Cimiraglia; M. Persico; J. Tomasi; O. P. Charkin ๐Ÿ“‚ Article ๐Ÿ“… 1984 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 667 KB

The effect of correlation energy on the relative stability of different structures and dissociation products of complex lithium beryllohydrides has been investigated. The adequacy of the method employed (third-order Moller-Plesset perturbation theory) and the basis set dependence have been assessed.

On the Influence of Electronic Exchange
โœ J. Hafner ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 698 KB

## Abstract The influence of electronic exchange and correlation on pseudopotential calculations is discussed within the framework of Harrison's first principles pseudopotential formalism. The Xฮฑ local exchange and correlation approximation is used for the calculation of the core states and for the