Two-Center Integrals over Solid Spherical Harmonics
- 1 July 1963
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 39 (1) , 84-89
- https://doi.org/10.1063/1.1734036
Abstract
One‐electron, two‐center integrals (and the corresponding one‐center case) are evaluated for integrals of the type arising in electromagnetic interactions. The Fourier convolution theorem method is employed and specific results are obtained for N′=0 and N′=2 in terms of an F function and recursion formulas. All cases up to L′=3 are evaluated in terms of the F functions and in terms of elementary functions.
Keywords
This publication has 4 references indexed in Scilit:
- Evaluation of Molecular Integrals by Solid Spherical Harmonic ExpansionsThe Journal of Chemical Physics, 1962
- Two-Center, Nonintegral, Slater-Orbital Calculations: Integral Formulation and Application to the Hydrogen Molecule-IonThe Journal of Chemical Physics, 1962
- On the Evaluation of Two-Center IntegralsThe Journal of Chemical Physics, 1962
- A Study of Two-Center Integrals Useful in Calculations on Molecular Structure. IThe Journal of Chemical Physics, 1951