3 citations · 3 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2016★ 3 cited
Degenerate Density Perturbation Theory
Mark C. Palenik, Brett I. Dunlap
Fractional occupation numbers can be used in density functional theory to create a symmetric Kohn-Sham potential, resulting in orbitals with degenerate eigenvalues. We develop the…
cond-mat.mtrl-sci2016
Energy Continuity in Degenerate Density Functional Perturbation Theory
Mark C. Palenik, Brett I. Dunlap
Fractional occupation numbers can produce open-shell degeneracy in density functional theory. We develop the corresponding perturbation theory by requiring that a differentiable ma…