Initial Estimates for Self-Consistent Field Calculations for Atoms with Large Atomic Number
- 15 November 1959
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 116 (4) , 900-902
- https://doi.org/10.1103/physrev.116.900
Abstract
Absolute rather than interpolation methods are described for obtaining initial estimates for self-consistent field calculations with exchange. Tables have been computed so that the procedure is entirely numerical which makes it more convenient than Hartree's graphic interpolation scheme.Keywords
This publication has 5 references indexed in Scilit:
- Limiting behaviour of atomic wave functions for large atomic number. IlIProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1959
- The limiting behaviour of atomic wave functions for large atomic number. IIProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1958
- The limiting behaviour of atomic wave functions for large atomic numberProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1957
- The interpolation of atomic wave functionsMathematical Proceedings of the Cambridge Philosophical Society, 1955
- Self-consistent field, with exchange, for Cu +Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1936