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Contributions to the electron affinity of calcium and scandium

Fischer, CF and Brage, Tomas LU (1992) In Canadian Journal of Physics 70(12). p.1283-1290
Abstract
Theoretical predictions of the electron affinity of Ca vary from 0 to 130 meV. Not all calculation, have included the same effects. In this paper, the different approaches are reviewed, the effect of assumptions estimated whenever possible, and some new ab initio results reported that estimate the effect of core polarization on electron affinity for both Ca and Sc. For the latter our predicted electron affinity is in good agreement with the experimental value for the lowest 4s(2)3d4p 1D state and underestimates the electron affinity for 4s(2)3d4p 3D, where the calculation of outer correlation is more demanding and the core-polarization effect is small.
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author
publishing date
type
Contribution to journal
publication status
published
subject
in
Canadian Journal of Physics
volume
70
issue
12
pages
1283 - 1290
publisher
NRC Research Press
external identifiers
  • wos:A1992LM29800016
ISSN
0008-4204
DOI
10.1139/p92-209
language
English
LU publication?
no
id
32fe25f9-1bf5-4413-941b-d6e503c9ce7f (old id 3919080)
date added to LUP
2013-07-08 15:34:43
date last changed
2016-06-29 09:05:58
@article{32fe25f9-1bf5-4413-941b-d6e503c9ce7f,
  abstract     = {Theoretical predictions of the electron affinity of Ca vary from 0 to 130 meV. Not all calculation, have included the same effects. In this paper, the different approaches are reviewed, the effect of assumptions estimated whenever possible, and some new ab initio results reported that estimate the effect of core polarization on electron affinity for both Ca and Sc. For the latter our predicted electron affinity is in good agreement with the experimental value for the lowest 4s(2)3d4p 1D state and underestimates the electron affinity for 4s(2)3d4p 3D, where the calculation of outer correlation is more demanding and the core-polarization effect is small.},
  author       = {Fischer, CF and Brage, Tomas},
  issn         = {0008-4204},
  language     = {eng},
  number       = {12},
  pages        = {1283--1290},
  publisher    = {NRC Research Press},
  series       = {Canadian Journal of Physics},
  title        = {Contributions to the electron affinity of calcium and scandium},
  url          = {http://dx.doi.org/10.1139/p92-209},
  volume       = {70},
  year         = {1992},
}