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Nonanalyticity of the optimized effective potential with finite basis sets

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

Authors

N.N. Lathiotakis



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
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

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