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Perdew, John P.
463
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Online (463)
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Articles (Online) (292)
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1
Comparing first-principles density functionals plus correct..:
Ning, Jinliang
;
Lane, Christopher
;
Barbiellini, Bernardo
...
The Journal of Chemical Physics. 160 (2024) 6 - p. , 2024
Link:
https://doi.org/10.1063/..
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2
Unconventional Error Cancellation Explains the Success of H..:
Kanungo, Bikash
;
Kaplan, Aaron D.
;
Shahi, Chandra
..
The Journal of Physical Chemistry Letters. 15 (2024) 1 - p. 323-328 , 2024
Link:
https://doi.org/10.1021/..
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3
Symmetry breaking and self-interaction correction in the ch..:
Maniar, Rohan
;
Withanage, Kushantha P. K.
;
Shahi, Chandra
...
The Journal of Chemical Physics. 160 (2024) 14 - p. , 2024
Link:
https://doi.org/10.1063/..
?
4
My life in science: Lessons for yours?:
Perdew, John P.
The Journal of Chemical Physics. 160 (2024) 1 - p. , 2024
Link:
https://doi.org/10.1063/..
?
5
How Does HF-DFT Achieve Chemical Accuracy for Water Cluster..:
Kaplan, Aaron D.
;
Shahi, Chandra
;
Sah, Raj K.
...
Journal of Chemical Theory and Computation. 20 (2024) 13 - p. 5517-5527 , 2024
Link:
https://doi.org/10.1021/..
?
6
Challenges for density functional theory in simulating meta..:
Zhang, Yubo
;
Ke, Da
;
Wu, Junxiong
...
The Journal of Chemical Physics. 160 (2024) 13 - p. , 2024
Link:
https://doi.org/10.1063/..
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7
Incorporation of density scaling constraint in density func..:
Gong, Weiyi
;
Sun, Tao
;
Bai, Hexin
...
Digital Discovery. 2 (2023) 5 - p. 1404-1413 , 2023
Link:
https://doi.org/10.1039/..
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8
The Predictive Power of Exact Constraints and Appropriate N..:
Kaplan, Aaron D.
;
Levy, Mel
;
Perdew, John P.
Annual Review of Physical Chemistry. 74 (2023) 1 - p. 193-218 , 2023
Link:
https://doi.org/10.1146/..
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9
Understanding Density-Driven Errors for Reaction Barrier He..:
Kaplan, Aaron D.
;
Shahi, Chandra
;
Bhetwal, Pradeep
..
Journal of Chemical Theory and Computation. 19 (2023) 2 - p. 532-543 , 2023
Link:
https://doi.org/10.1021/..
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10
Laplacian-level meta-generalized gradient approximation for..:
Kaplan, Aaron D.
;
Perdew, John P.
Physical Review Materials. 6 (2022) 8 - p. , 2022
Link:
https://doi.org/10.1103/..
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11
Construction of meta-GGA functionals through restoration of..:
Furness, James W.
;
Kaplan, Aaron D.
;
Ning, Jinliang
..
The Journal of Chemical Physics. 156 (2022) 3 - p. , 2022
Link:
https://doi.org/10.1063/..
?
12
Fermi–Löwdin orbital self-interaction correction of adsorpt..:
Withanage, Kushantha P. K.
;
Sharkas, Kamal
;
Johnson, J. Karl
...
The Journal of Chemical Physics. 156 (2022) 13 - p. , 2022
Link:
https://doi.org/10.1063/..
?
13
Testing the r2SCAN Density Functional for the Thermodynamic..:
Kothakonda, Manish
;
Kaplan, Aaron D.
;
Isaacs, Eric B.
...
ACS Materials Au. 3 (2022) 2 - p. 102-111 , 2022
Link:
https://doi.org/10.1021/..
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14
How Good Is the Density-Corrected SCAN Functional for Neutr..:
Dasgupta, Saswata
;
Shahi, Chandra
;
Bhetwal, Pradeep
..
Journal of Chemical Theory and Computation. 18 (2022) 8 - p. 4745-4761 , 2022
Link:
https://doi.org/10.1021/..
?
15
Symmetry Breaking with the SCAN Density Functional Describe..:
Perdew, John P.
;
Chowdhury, Shah Tanvir ur Rahman
;
Shahi, Chandra
...
The Journal of Physical Chemistry A. 127 (2022) 1 - p. 384-389 , 2022
Link:
https://doi.org/10.1021/..
1-15