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Adrienn Ruzsinszky
Adrienn Ruzsinszky
Professor of Physics, Tulane University
Email verificata su tulane.edu - Home page
Titolo
Citata da
Citata da
Anno
Restoring the density-gradient expansion for exchange in solids and surfaces
JP Perdew, A Ruzsinszky, GI Csonka, OA Vydrov, GE Scuseria, ...
Physical review letters 100 (13), 136406, 2008
112802008
Strongly constrained and appropriately normed semilocal density functional
J Sun, A Ruzsinszky, JP Perdew
Physical review letters 115 (3), 036402, 2015
34632015
Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits
JP Perdew, A Ruzsinszky, J Tao, VN Staroverov, GE Scuseria, GI Csonka
The Journal of chemical physics 123 (6), 2005
12862005
Assessing the performance of recent density functionals for bulk solids
GI Csonka, JP Perdew, A Ruzsinszky, PHT Philipsen, S Lebègue, J Paier, ...
Physical Review B—Condensed Matter and Materials Physics 79 (15), 155107, 2009
10332009
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
J Sun, RC Remsing, Y Zhang, Z Sun, A Ruzsinszky, H Peng, Z Yang, ...
Nature chemistry 8 (9), 831-836, 2016
9482016
Workhorse semilocal density functional for condensed matter physics and quantum chemistry
JP Perdew, A Ruzsinszky, GI Csonka, LA Constantin, J Sun
Physical Review Letters 103 (2), 026403, 2009
7532009
Understanding band gaps of solids in generalized Kohn–Sham theory
JP Perdew, W Yang, K Burke, Z Yang, EKU Gross, M Scheffler, ...
Proceedings of the national academy of sciences 114 (11), 2801-2806, 2017
5552017
Spurious fractional charge on dissociated atoms: Pervasive and resilient self-interaction error of common density functionals
A Ruzsinszky, JP Perdew, GI Csonka, OA Vydrov, GE Scuseria
The Journal of chemical physics 125 (19), 2006
4912006
Some fundamental issues in ground-state density functional theory: A guide for the perplexed
JP Perdew, A Ruzsinszky, LA Constantin, J Sun, GI Csonka
Journal of chemical theory and computation 5 (4), 902-908, 2009
4682009
Density functionals that are one-and two-are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+
A Ruzsinszky, JP Perdew, GI Csonka, OA Vydrov, GE Scuseria
The Journal of chemical physics 126 (10), 2007
3622007
Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method
J Sun, M Marsman, GI Csonka, A Ruzsinszky, P Hao, YS Kim, G Kresse, ...
Physical Review B—Condensed Matter and Materials Physics 84 (3), 035117, 2011
2822011
Communication: Self-interaction correction with unitary invariance in density functional theory
MR Pederson, A Ruzsinszky, JP Perdew
The Journal of Chemical Physics 140 (12), 2014
2502014
Density functionals that recognize covalent, metallic, and weak bonds
J Sun, B Xiao, Y Fang, R Haunschild, P Hao, A Ruzsinszky, GI Csonka, ...
Physical review letters 111 (10), 106401, 2013
2292013
Communication: Effect of the orbital-overlap dependence in the meta generalized gradient approximation
J Sun, B Xiao, A Ruzsinszky
The Journal of chemical physics 137 (5), 2012
1722012
Negative Poisson’s ratio in 1T-type crystalline two-dimensional transition metal dichalcogenides
L Yu, Q Yan, A Ruzsinszky
Nature communications 8 (1), 1-8, 2017
1712017
Scaling down the Perdew-Zunger self-interaction correction in many-electron regions
OA Vydrov, GE Scuseria, JP Perdew, A Ruzsinszky, GI Csonka
The Journal of chemical physics 124 (9), 2006
1692006
Exchange and correlation in open systems of fluctuating electron number
JP Perdew, A Ruzsinszky, GI Csonka, OA Vydrov, GE Scuseria, ...
Physical Review A—Atomic, Molecular, and Optical Physics 76 (4), 040501, 2007
1662007
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ...
Physical chemistry chemical physics 24 (47), 28700-28781, 2022
1642022
Semilocal density functional obeying a strongly tightened bound for exchange
J Sun, JP Perdew, A Ruzsinszky
Proceedings of the National Academy of Sciences 112 (3), 685-689, 2015
1522015
Global hybrid functionals: A look at the engine under the hood
GI Csonka, JP Perdew, A Ruzsinszky
Journal of Chemical Theory and Computation 6 (12), 3688-3703, 2010
1292010
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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