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

Cioslowski, Jerzy; Piskorz, Pawel
March 1997
Journal of Chemical Physics;3/1/1997, Vol. 106 Issue 9, p3607
Academic Journal
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.


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