A mixed atomic basis set formed with ls Slater-type orbitals and 1s floating spherical Gaussian orbitals is implemented. Evaluation of multicenter integrals is carried out using a method based on expansion of binary products of atomic basis functions in terms of a complete basis set, and a systemati
β¦ LIBER β¦
New type of rotational basis function for quantum-mechanical molecular collision calculations
β Scribed by D.C. Clary
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 856 KB
- Volume
- 76
- Category
- Article
- ISSN
- 0301-0104
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