APPROXIMATE WAVE FUNCTIONS OF Pb+++ BY THE METHOD OF SELF-CONSISTENT FIELD WITHOUT EXCHANGE

Autor:	Beatrice H. Worsley, J. F. Hart
Rok vydání:	1959
Předmět:	Physics Common point Field (physics) Mathematical analysis General Physics and Astronomy Hartree Self consistent Decimal digit Wave function Scope (computer science)
Zdroj:	Canadian Journal of Physics. 37:983-988
ISSN:	1208-6045 0008-4204
DOI:	10.1139/p59-109
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::19b9bcbec7379654df948d28565332fb https://doi.org/10.1139/p59-109 Zobrazit plný text záznamu