45 citations · 155 across the 6 of their papers we have counts for
7 papers
Bypassing the malfunction junction in warm dense matter simulations
Attila Cangi, Aurora Pribram-Jones
Simulation of warm dense matter requires computational methods that capture both quantum and classical behavior efficiently under high-temperature, high-density conditions. Current…
Corrections to Thomas-Fermi densities at turning points and beyond
Raphael F. Ribeiro, Donghyung Lee, Attila Cangi +2
Uniform semiclassical approximations for the number and kinetic-energy densities are derived for many non-interacting fermions in one-dimensional potentials with two turning points…
Almost Exact Exchange At Almost No Cost
Peter Elliott, Attila Cangi, Stefano Pittalis +2
A recently developed semiclassical approximation to exchange in one dimension is shown to be almost exact, with essentially no computational cost. The variational stability of this…
Potential functionals versus density functionals
Attila Cangi, E. K. U. Gross, Kieron Burke
Potential functional approximations are an intriguing alternative to density functional approximations. The potential functional that is dual to the Lieb density functional is defi…
Reduced Density Matrix Functional Theory at Finite Temperature: Theoretical Foundations
Tim Baldsiefen, Attila Cangi, E. K. U. Gross
We present an ab-initio approach for grand canonical ensembles in thermal equilibrium with local or nonlocal external potentials based on the one-reduced density matrix. We show th…
Electronic structure via potential functional approximations
Attila Cangi, Donghyung Lee, Peter Elliott +2
The universal functional of Hohenberg-Kohn is given as a coupling-constant integral over the density as a functional of the potential. Conditions are derived under which potential-…