ABSTRACT
We have recently observed 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.
GRAPHICAL ABSTRACT
Acknowledgments
The authors would like to dedicate this paper to Andreas Savin.
Disclosure statement
No potential conflict of interest was reported by the authors.