81 citations · 177 across the 8 of their papers we have counts for
8 papers
Predictive Power of the Exact Constraints and Appropriate Norms in Density Functional Theory
Aaron D. Kaplan, Mel Levy, John P. Perdew
Ground-state Kohn-Sham density functional theory provides, in principle, the exact ground-state energy and electronic spin-densities of real interacting electrons in a static exter…
Can the Hartree-Fock kinetic energy exceed the exact kinetic energy?
Steven Crisostomo, Mel Levy, Kieron Burke
The Hartree-Fock (HF) approximation has been an important tool for quantum-chemical calculations since its earliest appearance in the late 1920s, and remains the starting point of…
Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory
Aaron D. Kaplan, Biswajit Santra, Puskar Bhattarai +8
Exact density functionals for the exchange and correlation energies are approximated in practical calculations for the ground-state electronic structure of a many-electron system.…
Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT
Stefan Vuckovic, Mel Levy, Paola Gori-Giorgi
The augmented potential introduced by Levy and Zahariev [Phys. Rev. Lett. 113, 113002 (2014)] is shifted with respect to the standard exchange-correlation potential of Kohn-Sham de…
Nodal Variational Principle for Excited States
Federico Zahariev, Mark S. Gordon, Mel Levy
It is proven that the exact excited-state wave function and energy may be obtained by minimizing the energy expectation value of trial wave functions that are constrained only to h…
Ground-State Energy as a Simple Sum of Orbital Energies in Kohn-Sham Theory: A Shift in Perspective through a Shift in Potential
Mel Levy, Federico Zahariev
It is observed that the exact interacting ground-state electronic energy of interest may be obtained directly, in principle, as a simple sum of orbital energies when a universal de…