Electron–nuclear cusp check for self-consistent field wave functions for the neutral atoms from helium to uranium
- 1 October 1986
- journal article
- Published by Canadian Science Publishing in Canadian Journal of Physics
- Vol. 64 (10) , 1351-1352
- https://doi.org/10.1139/p86-238
Abstract
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.Keywords
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