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Density functional theory embedding for correlated wavefunctions: improved methods for open-shell systems and transition metal complexes. (2012)

First Author: Goodpaster JD
Attributed to:  Quantum embedding for condensed-phase reactivity funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/1.4770226

PubMed Identifier: 23248993

Publication URI: http://europepmc.org/abstract/MED/23248993

Type: Journal Article/Review

Volume: 137

Parent Publication: The Journal of chemical physics

Issue: 22

ISSN: 0021-9606