Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
Author:
Affiliation:
1. Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, CA, USA
2. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA
Funder
Basic Energy Sciences
MURI
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2017.1333644
Reference256 articles.
1. Inhomogeneous Electron Gas
2. The calculation of atomic fields
3. Self-Consistent Equations Including Exchange and Correlation Effects
4. Orbital-free kinetic-energy density functionals with a density-dependent kernel
5. Improving the orbital-free density functional theory description of covalent materials
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