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LSDA protein, Emericella nidulans

 
National Institutes of Health

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2020
2020
The Perdew-Zunger (PZ) method provides a way to remove the self-interaction (SI) error from density functional approximations on… Expand
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2019
2019
Self-interaction (SI) error, which results when exchange-correlation contributions to the total energy are approximated, limits… Expand
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1998