Open AccessSize-dependent error of the density functional theory ionization potential in vacuum and solution
Author(s) -
Xochitl A. Sosa Vazquez,
Christine M. Isborn
Publication year - 2015
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4937417
Subject(s) - ionization , density functional theory , solvation , polarizable continuum model , ionization energy , chemistry , molecule , atomic physics , chemical physics , polarizability , delocalized electron , molecular physics , computational chemistry , statistical physics , ion , physics , organic chemistry