42 citations · 204 across the 16 of their papers we have counts for
16 papers
Investigations of the exchange energy of neutral atoms in the large-Z limit
Jeremy J. Redd, Antonio C. Cancio, Nathan Argaman +1
The non-relativistic large- expansion of the exchange energy of neutral atoms provides an important input to modern non-empirical density functional approximations. Recent works…
Orbital-free functional with sub-milliHartree errors for slabs
Pavel Okun, Antonio C. Cancio, Kieron Burke
Using principles of asymptotic analysis, we derive the exact leading corrections to the Thomas-Fermi kinetic energy approximation for Kohn-Sham electrons for slabs. This asymptotic…
Seven Useful Questions in Density Functional Theory
Steven Crisostomo, Ryan Pederson, John Kozlowski +6
We explore a variety of unsolved problems in density functional theory, where mathematicians might prove useful. We give the background and context of the different problems, and w…
Some Problems in Density Functional Theory
Jeffrey Wrighton, Angel Albavera-Mata, Hector Francisco Rodriguez +4
Though calculations based on density functional theory (DFT) are used remarkably widely in chemistry, physics, materials science, and biomolecular research and though the modern fo…
Leading correction to the local density approximation for exchange in large- atoms
Nathan Argaman, Jeremy Redd, Antonio C. Cancio +1
The large- asymptotic expansion of atomic energies has been useful in determining exact conditions for corrections to the local density approximation in density functional theor…
Asymptotic Analysis of the Pauli Potential for Atoms
Jeremy J. Redd, Antonio C. Cancio
Modeling the Pauli energy, the contribution to the kinetic energy caused by Pauli statistics, without using orbitals is the open problem of orbital-free density functional theory.…