𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A relationship between correlation energies and sizes: The helium-like ions

✍ Scribed by Fernando Bernardi; Imre G. Csizmadia; Vedene H. Smith; M. H. Whangbo; Saul Wolfe

Publisher
Springer
Year
1975
Tongue
English
Weight
240 KB
Volume
37
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Simple relationship between total molecu
Simple relationship between total molecular correlation energies and LMO sizes
✍ M. R. Peterson; R. A. Poirier; R. Daudel; I. G. Csizmadia πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 355 KB

## Abstract As an alternative to the density functional approach to estimating total molecular correlation energies, the equation __E__~corr~=βˆ’0.06593 βˆ‘ __R__, where __R__~__i__~=γ€ˆ__r__^2^〉 and __i__ runs over the localized molecular orbitals was fitted to 25 STO‐3__G__ data points with a root‐mean

A relationship between the sizes and ene
A relationship between the sizes and energies of localized molecular orbitals. I. A study of selected first-row hydrides
✍ R. Daudel; J. D. Goddard; I. G. Csizmadia πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 405 KB

## Abstract __Ab initio__ calculations have been performed on selected first‐row hydrides with a large Gaussian basis set. Energy localized molecular orbitals (LMO'S) were computed and analysed in terms of their sizes and shapes. The total molecular electronic energy was partitioned into components