A new program for computing all the integrals appearing in molecular calculations with Slater-type orbitals (STO) is reported. This program follows the same philosophy as the reference pogram previously reported but introduces two main changes: Local symmetry is profited to compute all the two-elect
✦ LIBER ✦
Molecular calculations for HeH+with two-center correlated orbitals
✍ Scribed by YuSheng Dou; Hong Tang; MingZe Bai
- Book ID
- 107348862
- Publisher
- SP Science China Press
- Year
- 2009
- Tongue
- English
- Weight
- 671 KB
- Volume
- 52
- Category
- Article
- ISSN
- 1674-7291
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