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The effect of basis set and exchange-correlation functional on time-dependent density functional theory calculations within the Tamm-Dancoff approximation of the x-ray emission spectroscopy of transition metal complexes. (2016)

First Author: Roper IP

Attributed to: Computational X-ray Spectroscopy funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/1.4943862

PubMed Identifier: 27004859

Publication URI: http://europepmc.org/abstract/MED/27004859

Type: Journal Article/Review

Volume: 144

Parent Publication: The Journal of chemical physics

Issue: 11

ISSN: 0021-9606