Electron–nuclear cusp check for self-consistent field wave functions for the neutral atoms from helium to uranium

Autor:	Vedene H. Smith, William M. Westgate, Alfredo M. Simas, Albert D. Byrne
Rok vydání:	1986
Předmět:	Physics Cusp (singularity) Electron density Field (physics) chemistry Energetic neutral atom General Physics and Astronomy chemistry.chemical_element Electron Atomic physics Uranium Wave function Helium
Zdroj:	Canadian Journal of Physics. 64:1351-1352
ISSN:	1208-6045 0008-4204
DOI:	10.1139/p86-238
Popis:	The values of the electron density ρ(0), its derivative at the nucleus ρ′(0), and the electron (e)–nuclear (n) cusp ratio Cen = –ρ′(0)/2Zρ(0) are evaluated for the popular self-consistent field functions of Clementi and Roetti (helium to xenon) and McLean and McLean (cesium to uranium). The Cen's for these functions exhibit deviations from the exact value of one.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c8d03737c2e033e62da87c25e35ab515 https://doi.org/10.1139/p86-238 Zobrazit plný text záznamu