Journal article
Communication: Two types of flat-planes conditions in density functional theory
Abstract
Using results from atomic spectroscopy, we show that there are two types of flat-planes conditions. The first type of flat-planes condition occurs when the energy as a function of the number of electrons of each spin, Nα and Nβ, has a derivative discontinuity on a line segment where the number of electrons, Nα + Nβ, is an integer. The second type of flat-planes condition occurs when the energy has a derivative discontinuity on a line segment …
Authors
Yang XD; Patel AHG; Miranda-Quintana RA; Heidar-Zadeh F; González-Espinoza CE; Ayers PW
Journal
The Journal of Chemical Physics, Vol. 145, No. 3,
Publisher
AIP Publishing
Publication Date
July 21, 2016
DOI
10.1063/1.4958636
ISSN
0021-9606