𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Evaluation of one-center coulomb integrals involving s-functions by a programmable calculator

✍ Scribed by Yoshiyuki Hase


Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
208 KB
Volume
9
Category
Article
ISSN
0097-8485

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


On the use of a model function of Coulom
✍ M.J. Filatov; I.L. Zilberberg; G.M. Zhidomirov πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 273 KB

In order to evaluate the Coulomb and exchange integrals in the semiempirical SCF MO methods over an spd-basis of orbitals, an approximation of the model function of the Coulomb hole is used. The procedure of calculating mono-and bicentric Coulomb integrals based on the properties of Fourier transfor