APPROXIMATE WAVE FUNCTIONS OF Pb+++ BY THE METHOD OF SELF-CONSISTENT FIELD WITHOUT EXCHANGE
- 1 September 1959
- journal article
- Published by Canadian Science Publishing in Canadian Journal of Physics
- Vol. 37 (9) , 983-988
- https://doi.org/10.1139/p59-109
Abstract
The FERUT program previously described for calculating Hartree–Fock wave functions by the method of the self-consistent field has been adapted to the configuration Pb+++. Although the exchange factors were omitted, the program was extended beyond its original scope in other respects, and an assessment of the difficulties so encountered is made. It might be noted, however, that, except in the case of the 4ƒ wave function, it was possible to begin all the integrations at a common point. Initial estimates were made from the Douglas, Hartree, and Runciman results for thallium. The estimates for the core functions were not assumed to be satisfactory. The errors in the final wave functions are considered to be no more than one or two units in the second decimal digit.Keywords
This publication has 2 references indexed in Scilit:
- THE SELF-CONSISTENT FIELD WITH EXCHANGE FOR NEON BY FERUT PROGRAMCanadian Journal of Physics, 1958
- Atomic wave functions for gold and thalliumMathematical Proceedings of the Cambridge Philosophical Society, 1955