Open AccessOn the accuracy of density functional theory and wave function methods for calculating vertical ionization energies
Author(s) -
Scott McKechnie,
George H. Booth,
Aron J. Cohen,
Jacqueline M. Cole
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 - 10.1063/1.4921037
Subject(s) - ionization , perturbation theory (quantum mechanics) , density functional theory , wave function , propagator , ionization energy , atomic physics , coupled cluster , basis set , range (aeronautics) , physics , function (biology) , statistical physics , computational physics , molecule , quantum mechanics , materials science , ion , evolutionary biology , composite material , biology