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Communication: Two types of flat-planes conditions...
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