Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles Simulations

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Mi, Wenhui (ORCID:0000000216125292), Luo, Kai, Trickey, S. (ORCID:0000000192246304), Pavanello, Michele (ORCID:0000000182947481). 2023-10-23. Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles Simulations. https://doi.org/10.1021/acs.chemrev.2c00758

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