Validation of Density Functionals for Adsorption Energies on Transition Metal Surfaces
Author:
Affiliation:
1. Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-043, United States
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b01156
Reference32 articles.
1. A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals
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4. Accurate and simple analytic representation of the electron-gas correlation energy
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