 | This article is rated Start-class on Wikipedia's content assessment scale. It is of interest to the following WikiProjects: | ||||||||||
| |||||||||||
.jpg){kind=small}
[Untitled] edit
What should the relationship of this page to the DFT main page be? Should the portions of the DFT page that overlap this one be removed? --WilliamDParker 16:31, 4 October 2006 (UTC)
I think there is some confusion with particle and charge density in this article. If \rho is actually the charge density, then the equation for the Hartree potential should be uncorrect. It should be only correct, if \rho stands for the particle density. Since I am not an expert, I do not correct anything. 129.27.158.174 (talk) 09:24, 30 September 2008 (UTC)
I think the Hartree potential in v_eff is also wrong as there should not be a factor e^2. — Preceding unsigned comment added by 84.115.176.29 (talk) 15:30, 27 December 2011 (UTC)
Meaning of Kohn-Sham orbital energies edit
"The Kohn–Sham orbital energies εi, in general, have little physical meaning"
This statement is wrong - they do have a very precise physical meaning. See the Janak's theorem discussion on the Koopmans' Theorem page. — Preceding unsigned comment added by AcidFlask (talk • contribs) 22:42, 10 May 2012 (UTC)