From 6b1f413ea0c96a95e483488643553a5b07c80ddd Mon Sep 17 00:00:00 2001 From: Edward Linscott Date: Mon, 17 Jun 2024 13:38:07 +0200 Subject: [PATCH] Minor edit to .bib --- src/koopmans/references.bib | 1 - 1 file changed, 1 deletion(-) diff --git a/src/koopmans/references.bib b/src/koopmans/references.bib index ae4b2ddc9..915b470dd 100644 --- a/src/koopmans/references.bib +++ b/src/koopmans/references.bib @@ -112,7 +112,6 @@ @misc{Dabo2009 author = {Dabo, I. and Cococcioni, M. and Marzari, N.}, year = {2009}, month = jan, - eprint = {0901.2637}, abstract = {In effective single-electron theories, self-interaction manifests itself through the unphysical dependence of the energy of an electronic state as a function of its occupation, which results in important deviations from the ideal Koopmans trend and strongly affects the accuracy of electronic-structure predictions. Here, we study the non-Koopmans behavior of local and semilocal density-functional theory (DFT) total energy methods as a means to quantify and to correct self-interaction errors. We introduce a non-Koopmans self-interaction correction that generalizes the Perdew-Zunger scheme, and demonstrate its considerably improved performance in correcting the deficiencies of DFT approximations for self-interaction problems of fundamental and practical relevance.}, archiveprefix = {arxiv} }