Perspective: Treating electron over-delocalization with the DFT+U method
Author:
Affiliation:
1. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
Funder
Burroughs Wellcome Fund Career Award at the Scientific Interface
National Science Foundation (NSF)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4922693
Reference90 articles.
1. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
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4. Insights into Current Limitations of Density Functional Theory
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