TITLE

Accurate analytical representations of the core-electron densities of the elements 3 through 118

AUTHOR(S)
Cioslowski, Jerzy; Piskorz, Pawel
PUB. DATE
March 1997
SOURCE
Journal of Chemical Physics;3/1/1997, Vol. 106 Issue 9, p3607
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Discusses the importance of accurate analytical representation of atomic core-electron densities. Fitting of analytical functions; Use of a charge-conserving algorithm; Augmentation of valence-electron densities produced by semiempirical methods; Approaches involving core potentials.
ACCESSION #
4149039

 

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