✦ LIBER ✦

Evaluation of multicenter integrals over Slater-type atomic orbitals by expansion in terms of complete sets

✍ Scribed by E. Otto Steinborn; Eckhard Filter

Publisher: John Wiley and Sons
Year: 1980
Tongue: English
Weight: 346 KB
Volume: 18
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560180131

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

Multicenter integrals over Slater‐type orbitals can be expanded in series with known coefficients if they are considered as elements of appropriate Hilbert spaces. Some test calculations for the three‐center nuclear attraction integrals are given.

📜 SIMILAR VOLUMES

Evaluation of multicenter electron-repul

Evaluation of multicenter electron-repulsion integrals over slater-type orbitals

✍ I. I. Guseinov 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 200 KB

Evaluation of expansion coefficients for

Evaluation of expansion coefficients for translation of Slater-type orbitals using complete orthonormal sets of exponential-type functions

✍ I. I. Guseinov 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 128 KB

Expansion of atomic orbital products in

Expansion of atomic orbital products in terms of a complete function set

✍ J. E. Pérez; H. H. Cuenya; R. H. Contreras; F. S. Ortiz; H. Grinberg; M. C. de R 📂 Article 📅 1994 🏛 Springer 🌐 English ⚖ 1023 KB

Program for evaluation of non-exchange t

Program for evaluation of non-exchange type integrals required in electron-atom scattering theory using slater-type orbitals as basis functions

✍ Richard L. Smith; Donald G. Truhlar 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 704 KB

Program for evaluation of non-exchange t

Program for evaluation of non-exchange type integrals required in electron-atom scattering theory using slater-type orbitals as basis functions

✍ Richard L. Smith; Donald G. Truhlar 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 87 KB