Two-Center Dipole Moment Integrals in Terms of C Functions
- 1 May 1957
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 26 (5) , 1018-1020
- https://doi.org/10.1063/1.1743463
Abstract
The dipole moment integrals for Slater‐type atomic orbitals are conveniently and concisely expressed in terms of the C functions introduced by Ruedenberg, Roothaan, and Jaunzemis in their treatment of the two‐center hybrid integrals. Explicit formulas in terms of both the C functions and the usual A and B functions are given for all such integrals involving orbitals with quantum numbers one and two.Keywords
This publication has 2 references indexed in Scilit:
- Study of Two-Center Integrals Useful in Calculations on Molecular Structure. III. A Unified Treatment of the Hybrid, Coulomb, and One-Electron IntegralsThe Journal of Chemical Physics, 1956
- The structure of carbon monoxideTransactions of the Faraday Society, 1953