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Accelerating wavefunction in density-functional-theory embedding by truncating the active basis set. (2015)

First Author: Bennie SJ

Attributed to: Quantum embedding for condensed-phase reactivity funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/1.4923367

PubMed Identifier: 26178088

Publication URI: http://europepmc.org/abstract/MED/26178088

Type: Journal Article/Review

Volume: 143

Parent Publication: The Journal of chemical physics

Issue: 2

ISSN: 0021-9606