Delocalization Errors in Density Functional Theory are Essentially Quadratic in Fractional Occupation Number
Hait, Diptarka, Head-Gordon, MartinМова:
english
Журнал:
The Journal of Physical Chemistry Letters
DOI:
10.1021/acs.jpclett.8b02417
Date:
October, 2018
Файл:
PDF, 630 KB
english, 2018