A Valence-Bond-Based Multiconfigurational Density Functional Theory: The λ-DFVB Method Revisited
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DOI: 10.3390/molecules26030521
Abstract: A recently developed valence-bond-based multireference density functional theory, named λ-DFVB, is revisited in this paper. λ-DFVB remedies the double-counting error of electron correlation by decomposing the electron–electron interactions into the wave function term and density… read more here.
Keywords: bond; density functional; valence bond; dfvb ... See more keywords