1107.6007 (Nikitas I. Gidopoulos et al.)

Non-analyticity of the optimized effective potential with finite basis
sets    [PDF]

Nikitas I. Gidopoulos, N. N. Lathiotakis

We show that the finite-basis optimized effective potential (OEP) equations exhibit previously unknown singular behaviour. Imposing continuity, we derive new well-behaved finite-basis-set OEP equations that determine OEP for any orbital and any large enough potential basis sets and which adopt an analytic solution via matrix-inversion.

View original: http://arxiv.org/abs/1107.6007