Open AccessCORRECTING THE ATOMIC HIGHEST OCCUPIED ORBITAL ENERGY WITHIN AN HYBRID DENSITY FUNCTIONAL MODEL
Author(s) -
Pablo Fuentealba,
O. Reyes
Publication year - 2003
Publication title -
journal of the chilean chemical society
Language(s) - English
Resource type - Journals
eISSN - 0717-9707
pISSN - 0717-9324
DOI - 10.4067/s0717-97072003000400018
Subject(s) - density functional theory , hybrid functional , energy density , energy (signal processing) , chemical physics , materials science , homo/lumo , atomic physics , molecular physics , computational chemistry , physics , chemistry , quantum mechanics , theoretical physics , molecule