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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, 283-304, 2015
2272015
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
702016
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
632014
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
622014
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
582017
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
552014
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
442016
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
412016
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
382015
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
362014
Connection formulas for thermal density functional theory
A Pribram-Jones, K Burke
Physical Review B 93 (20), 205140, 2016
302016
Efficient formalism for warm dense matter simulations
A Cangi, A Pribram-Jones
Physical Review B 92 (16), 161113, 2015
132015
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
122017
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
112022
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
82017
Thermal corrections to density functional simulations of warm dense matter
JC Smith, A Pribram-Jones, K Burke
preprint, 2015
72015
Approximate bounds and temperature dependence of adiabatic connection integrands for the uniform electron gas
BP Harding, Z Mauri, A Pribram-Jones
The Journal of Chemical Physics 156 (13), 2022
42022
Exact conditions for ensemble density functional theory
TR Scott, J Kozlowski, S Crisostomo, A Pribram-Jones, K Burke
arXiv preprint arXiv:2307.00187, 2023
32023
Challenges for large scale simulation: general discussion
JG Brandenburg, K Burke, B Civalleri, DJ Cole, G Csányi, G David, ...
Faraday Discussions 224, 309-332, 2020
32020
Mĝller-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
22023
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Articles 1–20