We present an efficient method for the calculation of matrix elements between two plane waves interacting with a molecular Coulombic field. The molecular charge density is considered a sum of the nuclear point charges and the electronic part developed in products of Gaussian-type functions. The Gaus
✦ LIBER ✦
A hybrid method for the evaluation of the matrix elements of the Coulomb potential
✍ Scribed by Christoph van Wüllen
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 377 KB
- Volume
- 245
- Category
- Article
- ISSN
- 0009-2614
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