Calculation of two-center two-electron integrals in the slaters,p,d-basis set for the Ono electron-electron potential
β Scribed by S. K. Ignatov; A. G. Razuvaev; V. N. Kokorev
- Book ID
- 110563593
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1994
- Tongue
- English
- Weight
- 218 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0022-4766
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π SIMILAR VOLUMES
In a previous article (J. Fernandez Rico, R. Upez and G. Ramirez, J. Comp. Chem., 9, 790 (1988)) we have proposed the calculation of molecular integrals involving STOs by means of some recurrence relations which use two sets (h and H) of overlap integrals (basic matrices). In the present paper, we d
A method for the calculation of one-electron two-center integrals is described. Using an ellipsoidal coordinate system, both the overlap, kinetic energy, and nuclear attraction integrals are expressed in terms of the so-called sigma function w introduced by Baba-Ahmed et al. A. Baba-Ahmed and J. Gay