𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Optimization of SCF LCAO wave functions

✍ Scribed by Fletcher, R.

Book ID
120040858
Publisher
Taylor and Francis Group
Year
1970
Tongue
English
Weight
538 KB
Volume
19
Category
Article
ISSN
0026-8976

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

One-Electron properties from approximate
One-Electron properties from approximate LCAO-SCF wave functions
✍ G. L. Bendazzoli; M. Dixon; P. Palmieri πŸ“‚ Article πŸ“… 1973 πŸ› John Wiley and Sons 🌐 English βš– 467 KB

## Abstract Approximate and __ab initio__ molecular wave functions are obtained using Gaussian expansions of different length for the Slater orbitals. The expectation values of several one‐electron operators are obtained and the accuracy of different wave functions discussed.

Atomic SCF loge localized wave functions
Atomic SCF loge localized wave functions
✍ Eduardo V. LudeΓ±a πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 378 KB

## Abstract We report in this work SCF atomic calculations for Li, Be, B, C, and Ne using a basis set of completely loge‐localized functions. For these second row atoms the total volume __R__^3^ was partitioned into a spherical loge of radius __R__ and its volume complement. The loge‐localized basi