Localized Orbital Corrections for the Calculation of Ionization Potentials and Electron Affinities in Density Functional Theory
Author:
Affiliation:
1. Department of Chemistry, Columbia University, Havemeyer Hall, MC 3110, New York, New York 10025
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0619888
Reference46 articles.
1. Electron affinities of the first- and second-row atoms: Benchmarkab initioand density-functional calculations
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