On Augmented Kohn-Sham Potential for Energy as a Simple Sum of Orbital Energies

Abstract

It has recently been observed [Phys. Rev. Lett. 113, 113002 (2014)] that the ground-state energy may be obtained directly as a simple sum of augmented Kohn-Sham orbital energies, where it was ascertained that the corresponding one-body shifted Kohn-Sham effective potential has appealing features. With this in mind, eigenvalue and virial constraints are deduced for approximating this potential.

5 pages

References in corpus (1)

• Ground-State Energy as a Simple Sum of Orbital Energies in Kohn-Sham Theory: A Shift in Perspective through a Shift in Potential

Cited by in corpus (2)

• Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT
• Exact "exact exchange" potential of two- and one-dimensional electron gases beyond the asymptotic limit