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Machine Learning Approaches Toward Orbital-free Density Functional Theory: Simultaneous Training on the Kinetic Energy Density Functional and its Functional Derivative
Meyer, Ralf, Weichselbaum, Manuel, Hauser, Andreas W.Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00580
Date:
August, 2020
File:
PDF, 1.17 MB
2020