An all-electron relativistic self-consistent-field (RSCF) method for open-shell systems is developed. It is a straightforward extension of our previous RSCF calculation method for closed-shell systems and is a relativistic analog of the restricted HartreeFock method. The formalism is described for c
All-electron LCGTO calculations for uranium dioxide
โ Scribed by J. C. Boettger; A. K. Ray
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 165 KB
- Volume
- 80
- Category
- Article
- ISSN
- 0020-7608
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