Kramers' theorem in the relativistic electronic structure calculation
β Scribed by H Eschrig; M Richter
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 316 KB
- Volume
- 59
- Category
- Article
- ISSN
- 0038-1098
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π SIMILAR VOLUMES
Significant effects of negative-energy orbitals in molecules with light atoms have recently been observed in calculations by perturbation theory from wave functions expressed in terms of positive-energy orbitals. We give a detailed discussion of how to incorporate, through a rigorous variational the
The pairs of radial functions P i and Q i , which are part of the four-component single-particle spinors in the relativistic description of the electronic structure of bound states of atoms, are usually determined as solutions of eigenvalue problems. The latter constitute two-point boundary value pr