๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

New method of rapid and accurate evaluation for multicenter bielectronic integrals over B functions

โœ Scribed by H. Safouhi; P. E. Hoggan


Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
252 KB
Volume
80
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Efficient evaluation of integrals for de
โœ H. Safouhi; D. Pinchon; P. E. Hoggan ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 181 KB ๐Ÿ‘ 1 views

Density functional theory requires precise numerical values for three- ## ลฝ . center nuclear attraction integrals, best obtained over Slater-type orbitals STOs . Efficient evaluation of three-center nuclear attraction integrals over STOs to predetermined accuracy is made possible by applying the

The HD and HDฬ„ Methods for Accelerating
โœ Hassan Safouhi ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 141 KB

Three-center nuclear attraction and four-center two-electron Coulomb integrals over Slater-type orbitals are required for ab initio and density functional theory (DFT) molecular structure calculations. They occur in many millions of terms, even for small molecules and require rapid and accurate eval