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Aurora Pribram-Jones
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DFT: A theory full of holes?
A Pribram-Jones, DA Gross, K Burke
Annual review of physical chemistry 66 (1), 283-304, 2015
2432015
Thermal density functional theory: Time-dependent linear response and approximate functionals from the fluctuation-dissipation theorem
A Pribram-Jones, PE Grabowski, K Burke
Physical review letters 116 (23), 233001, 2016
812016
Exact and approximate Kohn-Sham potentials in ensemble density-functional theory
Z Yang, JR Trail, A Pribram-Jones, K Burke, RJ Needs, CA Ullrich
Physical Review A 90 (4), 042501, 2014
732014
Thermal density functional theory in context
A Pribram-Jones, S Pittalis, EKU Gross, K Burke
Frontiers and Challenges in Warm Dense Matter, 25-60, 2014
702014
Direct extraction of excitation energies from ensemble density-functional theory
Z Yang, A Pribram-Jones, K Burke, CA Ullrich
Physical Review Letters 119 (3), 033003, 2017
662017
Excitations and benchmark ensemble density functional theory for two electrons
A Pribram-Jones, Z Yang, JR Trail, K Burke, RJ Needs, CA Ullrich
The Journal of chemical physics 140 (18), 2014
622014
Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation
JC Smith, A Pribram-Jones, K Burke
Physical Review B 93 (24), 245131, 2016
482016
Exact conditions on the temperature dependence of density functionals
K Burke, JC Smith, PE Grabowski, A Pribram-Jones
Physical Review B 93 (19), 195132, 2016
452016
Frontiers and Challenges in Warm Dense Matter
A Pribram-Jones, S Pittalis, EKU Gross, K Burke
Lecture Notes in Computational Science and Engineering 96, 2014
442014
Adiabatic release measurements in aluminum between 400 and 1200 GPa: Characterization of aluminum as a shock standard in the multimegabar regime
MD Knudson, MP Desjarlais, A Pribram-Jones
Physical Review B 91 (22), 224105, 2015
422015
Connection formulas for thermal density functional theory
A Pribram-Jones, K Burke
Physical Review B 93 (20), 205140, 2016
302016
Using projection operators with maximum overlap methods to simplify challenging self‐consistent field optimization
HH Corzo, A Abou Taka, A Pribram‐Jones, HP Hratchian
Journal of Computational Chemistry 43 (6), 382-390, 2022
162022
Stacking fault energies of nondilute binary alloys using special quasirandom structures
JL Kaufman, GS Pomrehn, A Pribram-Jones, R Mahjoub, M Ferry, ...
Physical Review B 95 (9), 094112, 2017
132017
Efficient formalism for warm dense matter simulations
A Cangi, A Pribram-Jones
Physical Review B 92 (16), 161113, 2015
132015
First-principles investigation of structural and magnetic disorder in CuNiMnAl and CuNiMnSn Heusler alloys
S Aron-Dine, GS Pomrehn, A Pribram-Jones, KJ Laws, L Bassman
Physical Review B 95 (2), 024108, 2017
92017
Comparing correlation components and approximations in Hartree–Fock and Kohn–Sham theories via an analytical test case study
S Giarrusso, A Pribram-Jones
The Journal of Chemical Physics 157 (5), 2022
72022
Thermal corrections to density functional simulations of warm dense matter
JC Smith, A Pribram-Jones, K Burke
Phys. Rev. Lett, 2015
72015
Exact conditions for ensemble density functional theory
TR Scott, J Kozlowski, S Crisostomo, A Pribram-Jones, K Burke
Physical Review B 109 (19), 195120, 2024
62024
Møller-Plesset and density-fixed adiabatic connections for a model diatomic system at different correlation regimes
S Giarrusso, A Pribram-Jones
arXiv preprint arXiv:2305.09591, 2023
62023
Assessing Mg–Sc–(rare earth) ternary phase stability via constituent binary cluster expansions
A Soper, AL Shaw, PLJ Conway, GS Pomrehn, M Ferry, L Bassman, ...
Computational Materials Science 207, 111240, 2022
52022
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