Identities for the difference of exchange-correlation potentials and energies in degenerate and nondegenerate ground states are derived. The constraints are strong for degenerate ground states, and suggest that local and semilocal approximations to the exchange-correlation energy functional are incapable of correctly treating degenerate ground states. For degenerate states, it is possible to provide both local (pointwise) equality and global inequality constraints for the exchange-correlation potential in terms of the Coulomb potential.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1063/1.4871732 | DOI Listing |
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!