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Chandra Shahi

3 results in Authors: Chandra Shahi

Theoretical and Computational Chemistry

How does HF-DFT achieve chemical accuracy for water clusters?

Aaron Kaplan, Chandra Shahi, Raj Sah, Pradeep Bhetwal, Bikash Kanungo, Vikram Gavini, John Perdew

Version 1 posted 26 April 2024

403

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Theoretical and Computational Chemistry

How Good is the Density-Corrected SCAN Functional for Neutral and Ionic Aqueous Systems, and What is so Right about the Hartree-Fock Density?

Saswata Dasgupta, Chandra Shahi, Pradeep Bhetwal, John P. Perdew, Francesco Paesani

Version 1 posted 01 April 2022

1,448

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3

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Theoretical and Computational Chemistry

Vertical Ionization Energies, Generalized Kohn-Sham Orbital Energies, and the Curious Case of the Copper Oxide Anions

Chandra Shahi, Rohan Maniar, Jinliang Ning, Gabor I. Csonka, John P. Perdew, Adrienn Ruzsinszky

Version 1 posted 10 June 2024

203

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