Relativistic electron densities in the four-component Dirac representation and in the two-component picture
β Scribed by J. Autschbach; W. H. E. Schwarz
- Book ID
- 105887422
- Publisher
- Springer
- Year
- 2000
- Tongue
- English
- Weight
- 212 KB
- Volume
- 104
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The treatment of relativity and electron correlation on an equal footing is essential for the computation of systems containing heavy elements. Correlation treatments that are based on four-component Dirac-Hartree-Fock calculations presently provide the most accurate, albeit costly, way of taking re
The effect of omission of two-electron integrals involving basis functions for the small component of the wavefunction on the eigenvalue spectrum in the Dirac-Hartree-Fock problem is studied. From an analysis of the Fock matrix it is shown that omission of these integrals moves the negative-energy s