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Perdew, John
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1

Liquid-drop model for crystalline metals: Vacancy-formation..:

Perdew, John ; Wang, Yue ; Engel, Eberhard
Physical Review Letters.  66 (1991)  4 - p. 508-511 , 1991
Link: https://doi.org/10.1103/..
 
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2

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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3

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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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/..
 
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5

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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6

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/..
 
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7

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/..
 
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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

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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11

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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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/..
 
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13

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/..
 
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14

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/..
 
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15

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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