𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The effect of correlation on the surface potential of a free electron metal

Publisher
Elsevier Science
Year
1963
Tongue
English
Weight
71 KB
Volume
1
Category
Article
ISSN
0038-1098

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

The effect of electron correlation on th
The effect of electron correlation on the metalβ€”ligand bond in ferrocene
✍ Hans P. LΓΌthi; Per E.M. Siegbahn; Jan AlmlΓΆf; Knut FΓ¦gri Jr.; Anders Heiberg πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 668 KB

Large-scale hlC SW and esternally contracted CI calculations have been performed to determine the metal-l&and distance in fcrroccne. With a basis set of 174 contracted functions, A CJ espansion of more than a million configurations, and a correction for relativistic effects, the computed distance is

Electron correlation effects on the topo
Electron correlation effects on the topography of molecular electrostatic potentials
✍ Sudhir A. Kulkarni πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 421 KB

The effect of the inclusion of electron correlation at the MP2 level on the MESP topography is investigated. The change is analyzed in terms of the MESP value as well as eigenvalues at the critical point (CP). The pi-bond and lone-pair minima become more shallow and flat, and all the CPs indicating

The effect of electron correlation on on
The effect of electron correlation on one-electron distributions
✍ Russell J. Boyd πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 313 KB

Hartree-pock wavefunctions and good approximations to the exact wavefunctions are used to demonstrate the effect of electron correlation on the rrtditl density D(rr) and the contours of the density distribution p(rr) in the He isoehrctronic sequence. In genemi, correfation effects diminish as the ch