Comparison of DFT Methods for Molecular Orbital Eigenvalue Calculations
Author:
Affiliation:
1. Department of Chemical Engineering, Stanford University, Stanford, California 94305
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp061633o
Reference50 articles.
1. Electron Transport in Molecular Wire Junctions
2. The role of the local-multiplicative Kohn–Sham potential on the description of occupied and unoccupied orbitals
3. Inhomogeneous Electron Gas
4. Self-Consistent Equations Including Exchange and Correlation Effects
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