Fully numerical solutions of the hartree-fock equation in momentum space: A numerical study of the He atom and H ion
✍ Scribed by Wilfredo Rodríguez; Yasuyuki Ishikawa
- Publisher
- John Wiley and Sons
- Year
- 1988
- Tongue
- English
- Weight
- 522 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0020-7608
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📜 SIMILAR VOLUMES
Using the Hi ion as an example, we discuss a fully numerical approach to the solution of the Hartree-Fock equation in momentum space which ensures accurate and stable solutions for polyatomic molecules. We made use of a "tangential" grid to solve the problems of truncation of momentum space and the
## Abstract New techniques have been developed for atomic self‐consistent‐field calculations by numerical integration. For the origin and tail regions we present analytical expansions which can represent the solutions to high accuracy. For the numerical integration in the central region a five‐poin