✦ LIBER ✦

Expression for overlap integrals of Slater orbitals

✍ Scribed by Talman, James

Book ID: 111981695
Publisher: The American Physical Society
Year: 1993
Tongue: English
Weight: 236 KB
Volume: 48
Category: Article
ISSN: 1050-2947
DOI: 10.1103/physreva.48.243

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Overlap Integrals over Slater-Type Atomi

Overlap Integrals over Slater-Type Atomic Orbitals

✍ Silver, David M. 📂 Article 📅 1968 🏛 American Institute of Physics 🌐 English ⚖ 577 KB

Computer-generated formulas for overlap

Computer-generated formulas for overlap integrals of slater-type orbitals

✍ Herbert W. Jones 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 217 KB

## Abstract Using a modified form of Sharma's method for the expansion of a Slater‐type orbital in spherical harmonics about a displaced center, a general expression for the overlap integral between two orbitals is derived that is equivalent to that given by Sharma. By use of a simple kind of “comp

Two-centre overlap integrals involving m

Two-centre overlap integrals involving mixed Slater-gaussian orbitals

✍ B.W.N. Lo; R.J.R. Cable; N.R. Carlsen 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 320 KB

Comprehensive strategy for the calculati

Comprehensive strategy for the calculation of overlap integrals with Slater-type orbitals

✍ Herbert W. Jones 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 141 KB 👁 1 views

A strategy is presented for the calculation of two-center overlap integrals over Slater-type orbitals. Displaced orbitals are expanded in spherical harmonics with Lowdin ␣-functions äs coefficients. The exponentials in the ␣-functions are expanded, leading to representation in terms of stored E and

Computation of overlap integrals over Sl

Computation of overlap integrals over Slater-type orbitals using auxiliary functions

✍ I. I. Guseinov; A. Özmen; Ü. Atav; H. Yüksel 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 153 KB 👁 1 views

Analytical expressions through the binomial coefficients and recursive relations are derived for the expansion coefficients of overlap integrals in terms of a product of well-known auxiliary functions A and B . These formulas are especially k k useful for the calculation of overlap integrals for lar

Exact formulas for overlap integrals of

Exact formulas for overlap integrals of Slater-type orbitals with equal screening constants

✍ Herbert W. Jones 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 296 KB

## Abstract Exact formulas for 147 overlap integrals between Slater‐type orbitals with equal screening constants are presented in the most simplified form. This represents all combinations of orbitals with quantum numbers: 1 ≤ __N__ ≤ 5, 0 ≤ __L__ ≤ 3, and __M__ ≤ __L__. The formulas are automatica