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Theoretical and Computational Chemistry

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exchange correlation

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2 results in Keywords: exchange correlation

Theoretical and Computational Chemistry

Real-space machine learning of correlation density functionals

Elias Polak, Heng Zhao, Stefan Vuckovic

Version 2 posted 16 September 2024

413

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Theoretical and Computational Chemistry

Parallel Implementation of Density Functional Theory Methods in the Quantum Interaction Computational Kernel Program

Madushanka Manathunga, Yipu Miao, Dawei Mu, Andreas Goetz, Kenneth M. Merz Jr.

Version 1 posted 24 March 2020

765

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