56 citations · 56 across the 3 of their papers we have counts for
3 papers
physics.atom-ph2017★ 56 cited
How is the derivative discontinuity related to steps in the exact Kohn-Sham potential?
M. J. P. Hodgson, E. Kraisler, E. K. U. Gross
The reliability of density-functional calculations hinges on accurately approximating the unknown exchange-correlation (xc) potential. Common (semi-)local xc approximations lack th…
cond-mat.supr-con2009
Why magnetism in CeOFFeAs and LaOFFeAs is different
S. Sharma, S. Shallcross, J. K. Dewhurst +4
Using state-of-the-art first-principles calculations we study the magnetic behaviour of CeOFeAs. We find the Ce layer moments oriented perpendicular to those of the Fe layers. An a…
atom-ph1995
Conventional Quantum Chemical Correlation Energy versus Density-Functional Correlation Energy
E. K. U. Gross, M. Petersilka, T. Grabo
We analyze the difference between the correlation energy as defined within the conventional quantum chemistry framework and its namesake in density-functional theory. Both quantiti…