Exact exchange-correlation potentials from ground-state electron densities

The inverse DFT problem of mapping the ground-state density to its exchange correlation potential has been numerically challenging so far. Here, the authors propose an approach for an accurate solution to the inverse DFT problem, enabling the evaluation of exact exchange and correlation potential fr...

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Autores principales: Bikash Kanungo, Paul M. Zimmerman, Vikram Gavini
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2019
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Acceso en línea:https://doaj.org/article/e89c41f32c334fe8bb9303a303e212fd
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