[Wien] Output Coulomb potential
Gavin Abo
gsabo at crimson.ua.edu
Mon Apr 21 18:05:25 CEST 2014
FYI, from slide 12 of
http://indico.cern.ch/event/30902/session/19/contribution/95/material/slides/1.pdf
:
"The coulomb potential Vc is a central quantity in any theoretical
calculation (part of the Hamiltonian) and is obtained from all charges
rho (electronic + nuclear) in the system."
On 4/21/2014 8:11 AM, huimei liu wrote:
> Dear staff:
> The purpose of my calculations is to get quantity coulomb
> potential of a certain system and I've already get the result.
> But I'm confused with the component of coulomb potential, is the
> contribution of core electron also counted in or just the valence
> electrons are calculated?
> Thank you for your attention to this matter.
> Best regards
> Liu
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