[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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