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Accurate density functional prediction of molecular electron affinity with the scaling corrected Kohn–Sham frontier orbital energies

Authors :
DaDi Zhang
Weitao Yang
Xiaolong Yang
Xiao Zheng
Source :
Molecular Physics. 116:927-934
Publication Year :
2017
Publisher :
Informa UK Limited, 2017.

Abstract

Electron affinity (EA) is the energy released when an additional electron is attached to an atom or a molecule. EA is a fundamental thermochemical property, and it is closely pertinent to other imp...

Details

ISSN :
13623028 and 00268976
Volume :
116
Database :
OpenAIRE
Journal :
Molecular Physics
Accession number :
edsair.doi...........bba730a3b5f33c46fb4559cda9d27018
Full Text :
https://doi.org/10.1080/00268976.2017.1382738