๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Theoretical foundations of purely semi-empirical quantum chemistry. II. Molecular properties

โœ Scribed by Karl F. Freed; Karl F. Freed


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
691 KB
Volume
3
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Theoretical Foundations Of Purely Semi-E
โœ Karl F. Freed ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 499 KB

## Results of ab initio calculations of correlation energies are used to estimate the correlation contribution to true repulsion integrals 7pq\_ The one-center frue rpp and the distance dependence of the true -rpq are shown 10 be-in semiquantitative agreement with the empirical resonance integrals