Matrix Dirac-Fock-Breit self-consistent field calcutations have been performed on heavy atoms up to Rn using large geometric basis sets of Gaussian-type functions. Results of the calculations on Yb, Hg, Pb and Rn are presented. For Hg, a number of Dirac-Fock-Breit calculations were performed in whic
A computational method of performing MC SCF calculations using bonded functions
โ Scribed by John Kendrick; Ian H. Hillier
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 384 KB
- Volume
- 41
- Category
- Article
- ISSN
- 0009-2614
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