Closed formulas for one- and two-center harmonic oscillator integrals
✍ Scribed by A. Palma; L. Sandoval; J. Morales
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 257 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract Formulas can be automatically generated for all two‐center Coulomb integrals over Slater‐type orbitals by means of the “__C__‐matrix” single‐center expansion method with use of “computer algebra.” The formula coefficients may be stored in two‐dimensional arrays.
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
Reccwed 22 Scptembcr I98 I, m fiial form 3 1 October 198 I The probkm. treated m several papers pubbshed durmg the last decade. of findrng a compact ekprrsrron for the orcrlap mregrat of the wavefunctlons of I\CO dlsphced and distorlrd h;trmontc oscillators wvas solved mow rhm !uenxy yrars q\_o bb A