Multicomponent density functional with density fitting

Mejia-Rodriguez, D; de la Lande, A

de la Lande, A (reprint author), Univ Paris Saclay, Univ Paris Sud, Lab Chim Phys, CNPS, 15 Ave Jean Perrin, F-91405 Orsay, France.

JOURNAL OF CHEMICAL PHYSICS, 2019; 150 (17):

Abstract

Multicomponent Density Functional Theory (MDFT) is a promising methodology to incorporate nuclear quantum effects, such as zero point energy or tunnel......

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