Title
Electrostatic potentials at the nucleus for isoelectronic series of light atomic ions using the QMC method in relation to DFT Electrostatic potentials at the nucleus for isoelectronic series of light atomic ions using the QMC method in relation to DFT
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Basel ,
Subject
Mathematics
Chemistry
Source (journal)
Journal of mathematical chemistry. - Basel
Volume/pages
53(2015) :8 , p. 1725-1732
ISSN
0259-9791
ISI
000359408800006
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The electrostatic potential at the nucleus is here calculated using the quantum Monte Carlo method. Both variational and diffusion-type data are presented for four different isoelectronic series of atomic ions, namely He, Li, Be and B. These results are then utilized to evaluate the ground-state energies of such atomic ions.
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