Theo dơi
Kieron Burke
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
Generalized gradient approximation made simple
JP Perdew, K Burke, M Ernzerhof
Physical review letters 77 (18), 3865, 1996
2061341996
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
115072008
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
JP Perdew, K Burke, Y Wang
Physical review B 54 (23), 16533, 1996
73941996
Rationale for mixing exact exchange with density functional approximations
JP Perdew, M Ernzerhof, K Burke
The Journal of chemical physics 105 (22), 9982-9985, 1996
70531996
Perspective on density functional theory
K Burke
The Journal of chemical physics 136 (15), 2012
21012012
Time-dependent density functional theory: Past, present, and future
K Burke, J Werschnik, EKU Gross
The Journal of chemical physics 123 (6), 2005
10722005
Electronic density functional theory: recent progress and new directions
K Burke, JP Perdew, Y Wang, JF Dobson, G Vignale, MP Das
Plenum, 1998
10131998
Bypassing the Kohn-Sham equations with machine learning
F Brockherde, L Vogt, L Li, ME Tuckerman, K Burke, KR Müller
Nature communications 8 (1), 872, 2017
7832017
Finding density functionals with machine learning
JC Snyder, M Rupp, K Hansen, KR Müller, K Burke
Physical review letters 108 (25), 253002, 2012
6842012
Double excitations within time-dependent density functional theory linear response
NT Maitra, F Zhang, RJ Cave, K Burke
The Journal of Chemical Physics 120 (13), 5932-5937, 2004
5992004
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
5692017
Self-interaction errors in density-functional calculations of electronic transport
C Toher, A Filippetti, S Sanvito, K Burke
Physical Review Letters 95 (14), 146402, 2005
4302005
Comparison shopping for a gradient‐corrected density functional
JP Perdew, K Burke
International journal of quantum chemistry 57 (3), 309-319, 1996
4291996
Understanding and reducing errors in density functional calculations
MC Kim, E Sim, K Burke
Physical review letters 111 (7), 073003, 2013
4062013
Escaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory
JP Perdew, A Savin, K Burke
Physical Review A 51 (6), 4531, 1995
4051995
DFT in a nutshell
K Burke, LO Wagner
International Journal of Quantum Chemistry 113 (2), 96-101, 2013
3952013
Retrospective on a decade of machine learning for chemical discovery
OA von Lilienfeld, K Burke
Nature communications 11 (1), 4895, 2020
3382020
Derivation of a generalized gradient approximation: The PW91 density functional
K Burke, JP Perdew, Y Wang
Electronic Density Functional Theory: recent progress and new directions, 81-111, 1998
3371998
The adiabatic connection method: a non-empirical hybrid
K Burke, M Ernzerhof, JP Perdew
Chemical Physics Letters 265 (1-2), 115-120, 1997
3371997
Quantum chemical accuracy from density functional approximations via machine learning
M Bogojeski, L Vogt-Maranto, ME Tuckerman, KR Müller, K Burke
Nature communications 11 (1), 5223, 2020
3172020
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Bài viết 1–20