Nonanalyticity of the optimized effective potential with finite basis sets

Gidopoulos, N.I.; Lathiotakis, N.N.

Abstract

We show that the finite-basis optimized effective potential (OEP) equations exhibit previously unknown singular behavior. 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.

Citation

Gidopoulos, N., & Lathiotakis, N. (2012). Nonanalyticity of the optimized effective potential with finite basis sets. Physical Review A, 85(5), Article 052508. https://doi.org/10.1103/physreva.85.052508

• Journal Article Type: Article
• Publication Date: May 22, 2012
• Deposit Date: May 14, 2013
• Publicly Available Date: Oct 8, 2014
• Journal: Physical Review A - Atomic, Molecular, and Optical Physics
• Print ISSN: 1050-2947
• Electronic ISSN: 1094-1622
• Publisher: American Physical Society
• Peer Reviewed: Peer Reviewed
• Volume: 85
• Issue: 5
• Article Number: 052508
• DOI: https://doi.org/10.1103/physreva.85.052508
• Public URL: https://durham-repository.worktribe.com/output/1456171