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)
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