Journal article
Ubiquitous Negative Electron Densities Discredit Smooth Energy Interpolation in Density Functional Theory
Authors
Richer M; Martínez González M; Sanchez-Diaz G; Miranda-Quintana RA; Heidar-Zadeh F; Ayers PW
Journal
The Journal of Physical Chemistry Letters, , ,
Publisher
American Chemical Society (ACS)
Publication Date
April 8, 2026
DOI
10.1021/acs.jpclett.6c00662
ISSN
1948-7185