Analytical Self-Consistent Field Functions for, Cr and Its Excited States
- 17 February 1964
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 133 (4A) , A961-A964
- https://doi.org/10.1103/physrev.133.a961
Abstract
Self-consistent field calculations by the expansion method were carried out for , Cr and some of its excited states. The results represent closely the absolute Hartree-Fock solutions. The wave functions were calculated with the requirement to satisfy exactly the cusp condition so that they can be considered to be particularly accurate in the immediate vicinity of the nucleus. The differences in calculated energy levels are compared with experiment.
Keywords
This publication has 7 references indexed in Scilit:
- Accurate Analytical Self-Consistent Field Functions for Atoms. IV. Ground States and Several Excited States for Atoms and Ions of Al and CuPhysical Review B, 1963
- Accurate Analytical Self-Consistent Field Functions for Atoms. III. TheStates of Nitrogen and Oxygen and Their IonsPhysical Review B, 1963
- Accurate Analytical Self-Consistent Field Functions for Atoms. II. Lowest Configurations of the Neutral First Row AtomsPhysical Review B, 1962
- Iron Series Hartree-Fock Calculations. IIPhysical Review B, 1960
- Self-Consistent Field Theory for Open Shells of Electronic SystemsReviews of Modern Physics, 1960
- Analytical Self-Consistent Field Functions for the Atomic Configurations , , andReviews of Modern Physics, 1960
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951