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-Reference-Cited by-同舟云学术

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

Published:2016-03-21 Issue:11 Volume:144 Page:114104
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Roper Ian P. E.¹,Besley Nicholas A.¹^ORCID

Affiliation:

1. School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom

Funder

Leverhulme Trust

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4943862

Reference59 articles.

1. Recent developments in X-ray absorption spectroscopy

2. Novel opportunities for time-resolved absorption spectroscopy at the X-ray free electron laser

3. X-ray Emission Spectroscopy To Study Ligand Valence Orbitals in Mn Coordination Complexes

4. Probing Valence Orbital Composition with Iron Kβ X-ray Emission Spectroscopy

5. Ligand Identification in Titanium Complexes Using X-ray Valence-to-Core Emission Spectroscopy

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