Title
|
|
|
|
Electrostatic potentials at the nucleus for isoelectronic series of light atomic ions using the QMC method in relation to DFT
|
|
Author
|
|
|
|
|
|
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. |
|
|
Language
|
|
|
|
English
|
|
Source (journal)
|
|
|
|
Journal of mathematical chemistry. - Basel
|
|
Publication
|
|
|
|
Basel
:
2015
|
|
ISSN
|
|
|
|
0259-9791
|
|
DOI
|
|
|
|
10.1007/S10910-015-0514-6
|
|
Volume/pages
|
|
|
|
53
:8
(2015)
, p. 1725-1732
|
|
ISI
|
|
|
|
000359408800006
|
|
Full text (Publisher's DOI)
|
|
|
|
|
|
Full text (publisher's version - intranet only)
|
|
|
|
|
|