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Accurate density functional prediction of molecular electron affinity with the scaling corrected Kohn–Sham frontier orbital energies
- 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...
- Subjects :
- 010304 chemical physics
Chemistry
Biophysics
Kohn–Sham equations
Electron
Functional prediction
010402 general chemistry
Condensed Matter Physics
01 natural sciences
0104 chemical sciences
Electron affinity
0103 physical sciences
Atom
Molecule
Density functional theory
Physical and Theoretical Chemistry
Atomic physics
Molecular Biology
Scaling
Subjects
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