Accurate Analytical Self-Consistent Field Functions for Atoms. IV. Ground States and Several Excited States for Atoms and Ions of Al and Cu
- 15 August 1963
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 131 (4), 1572-1577
- https://doi.org/10.1103/physrev.131.1572
Abstract
Self-consistent field calculations by the expansion method were carried out for the ground states and several excited states of atoms and ions of Al and Cu. The results for the total energies of the states computed represent very accurately the absolute Hartree-Fock solutions. The wave functions were calculated with the requirement to satisfy identically the cusp condition so that they can be considered to be particularly accurate in the immediate vicinity of the nucleus. Comparison with experiment is carried out in particular for the calculated energy levels.Keywords
This publication has 10 references indexed in Scilit:
- 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
- Hartree-Fock Atomic Wave Functions fromtoPhysical Review B, 1961
- Analytic Hartree-Fock Wave Functions for the-Shell AtomsPhysical Review B, 1961
- Iron Series Hartree-Fock Calculations. IIPhysical Review B, 1960
- Iron Series Hartree-Fock CalculationsPhysical 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
- Configuration interaction in orbital theoriesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1955
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951