244 citations · 1.2k across the 20 of their papers we have counts for
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physics.comp-ph2014★ 24 cited
Improved analytical representation of combinations of Fermi-Dirac integrals for finite-temperature density functional calculations
Valentin V. Karasiev, Debajit Chakraborty, S. B. Trickey
Smooth, highly accurate analytical representations of Fermi-Dirac (FD) integral combinations important in free-energy density functional calculations are presented. Specific forms…
cond-mat.mtrl-sci2014★ 80 cited
Finite-temperature orbital-free DFT molecular dynamics: coupling Profess and Quantum Espresso
Valentin V. Karasiev, Travis Sjostrom, S. B. Trickey
Implementation of orbital-free free-energy functionals in the Profess code and the coupling of Profess with the Quantum Espresso code are described. The combination enables orbital…