𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Compact contracted gaussian-type basis sets from Na to Ar: Application to molecular calculations

✍ Scribed by Yoshiko Sakai; Hiroshi Tatewaki; Sigeru Huzinaga


Book ID
104580143
Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
294 KB
Volume
18
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Distributed basis sets of s-type Gaussia
✍ S. Wilson πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 799 KB

## I A particular formulation of the distributed Gaussian basis-set approach, the extended Gaussian cell model, is applied to the simplest polycentric molecule, the linear H:+ ion. Calculations of the total energy using two extensions of the original Gaussian cell model are described and results a

Implementation of atomic basis set compo
✍ Cesco, J. C.; Denner, C. C.; Giubergia, G. O.; Rosso, A. E.; PοΏ½rez, J. E.; Ortiz πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 185 KB πŸ‘ 1 views

A mixed atomic basis set formed with ls Slater-type orbitals and 1s floating spherical Gaussian orbitals is implemented. Evaluation of multicenter integrals is carried out using a method based on expansion of binary products of atomic basis functions in terms of a complete basis set, and a systemati