SCF Relativistic Hartree–Fock Calculations on the Superheavy Elements 118–131
✍ Scribed by Mann, Joseph B.
- Book ID
- 115509946
- Publisher
- American Institute of Physics
- Year
- 1970
- Tongue
- English
- Weight
- 850 KB
- Volume
- 53
- Category
- Article
- ISSN
- 0021-9606
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We report on the self-consistent field solution of the Hartree-Fock-Slater equations using the finite-element method far the three small diatomic molecules N2, BH and CO as examples. The quality of the results is not only better by two orders of magnitude than the fully numerical finite difference m
This "relativistic contraction" is here found to be 0.64, where part of this work was done. 2.3 and 5.6 per cent for GeH,, SnH4 and P'oH4, respectively. This effect can be interpreted by the known fact that the s and p1j2 shells shrink [I, 161 due to re-References lativity. Orthogonality constraints