Articoli con mandati relativi all'accesso pubblico - Adrienn RuzsinszkyUlteriori informazioni
Non disponibili pubblicamente: 9
Construction and application of a new dual-hybrid random phase approximation
PD Mezei, GI Csonka, A Ruzsinszky, M Kállay
Journal of chemical theory and computation 11 (10), 4615-4626, 2015
Mandati: US Department of Energy
Construction of a spin-component scaled dual-hybrid random phase approximation
PD Mezei, GI Csonka, A Ruzsinszky, M Kallay
Journal of Chemical Theory and Computation 13 (2), 796-803, 2017
Mandati: US National Science Foundation
Reference Determinant Dependence of the Random Phase Approximation in 3d Transition Metal Chemistry
JE Bates, PD Mezei, GI Csonka, J Sun, A Ruzsinszky
Journal of chemical theory and computation 13 (1), 100-109, 2017
Mandati: US Department of Energy
Adiabatic connection without coupling constant integration
JE Bates, N Sengupta, J Sensenig, A Ruzsinszky
Journal of Chemical Theory and Computation 14 (6), 2979-2990, 2018
Mandati: US National Science Foundation
Chemisorption Can Reverse Defect–Defect Interaction on Heterogeneous Catalyst Surfaces
L Yu, A Ruzsinszky, Q Yan
The Journal of Physical Chemistry Letters 10 (23), 7311-7317, 2019
Mandati: US National Science Foundation, US Department of Energy
Reducing the many-electron self-interaction error in the second-order screened exchange method
PD Mezei, A Ruzsinszky, M Kállay
Journal of Chemical Theory and Computation 15 (12), 6607-6616, 2019
Mandati: US National Science Foundation, US Department of Energy, National Office for …
Accurate complete basis set extrapolation of direct random phase correlation energies
PD Mezei, GI Csonka, A Ruzsinszky
Journal of Chemical Theory and Computation 11 (8), 3961-3967, 2015
Mandati: US Department of Energy
Application of a dual-hybrid direct random phase approximation to water clusters
PD Mezei, A Ruzsinszky, GI Csonka
Journal of chemical theory and computation 12 (9), 4222-4232, 2016
Mandati: US Department of Energy
Self-Interaction-Corrected Random Phase Approximation
S Ruan, X Ren, T Gould, A Ruzsinszky
Journal of Chemical Theory and Computation 17 (4), 2107-2115, 2021
Mandati: US National Science Foundation, US Department of Defense, National Natural …
Disponibili pubblicamente: 49
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
Mandati: US National Science Foundation, US Department of Energy
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
Mandati: US Department of Energy, German Research Foundation
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
Mandati: Austrian Science Fund
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
Mandati: German Research Foundation
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
Mandati: US National Science Foundation, US Department of Energy
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
Mandati: US National Science Foundation, US Department of Energy, US National …
Bending two-dimensional materials to control charge localization and Fermi-level shift
L Yu, A Ruzsinszky, JP Perdew
Nano letters 16 (4), 2444-2449, 2016
Mandati: US National Science Foundation, US Department of Energy
Improved lattice constants, surface energies, and CO desorption energies from a semilocal density functional
J Sun, M Marsman, A Ruzsinszky, G Kresse, JP Perdew
Physical Review B—Condensed Matter and Materials Physics 83 (12), 121410, 2011
Mandati: Austrian Science Fund
Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories
JP Perdew, A Ruzsinszky, J Sun, NK Nepal, AD Kaplan
Proceedings of the National Academy of Sciences 118 (4), e2017850118, 2021
Mandati: US National Science Foundation, US Department of Energy
Stretched or noded orbital densities and self-interaction correction in density functional theory
C Shahi, P Bhattarai, K Wagle, B Santra, S Schwalbe, T Hahn, J Kortus, ...
The Journal of Chemical Physics 150 (17), 2019
Mandati: US National Science Foundation, US Department of Energy, US Department of …
Characterization of thin film materials using SCAN meta-GGA, an accurate nonempirical density functional
IG Buda, C Lane, B Barbiellini, A Ruzsinszky, J Sun, A Bansil
Scientific reports 7 (1), 44766, 2017
Mandati: US Department of Energy
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