Ab Initio Calculations of X-ray Spectra: Atomic Multiplet and Molecular Orbital Effects in a Multiconfigurational SCF Approach to the L-Edge Spectra of Transition Metal Complexes-Reference-Cited by-同舟云学术

Ab Initio Calculations of X-ray Spectra: Atomic Multiplet and Molecular Orbital Effects in a Multiconfigurational SCF Approach to the L-Edge Spectra of Transition Metal Complexes

Published:2012-11-26 Issue:23 Volume:3 Page:3565-3570
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Josefsson Ida¹,Kunnus Kristjan²,Schreck Simon²,Föhlisch Alexander²,de Groot Frank³,Wernet Philippe²,Odelius Michael¹

Affiliation:

1. Department of Physics, Stockholm University, AlbaNova University Center, 106 91 Stockholm, Sweden

2. Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Strasse 15, 12489 Berlin, Germany

3. Inorganic Chemistry and Catalysis, Utrecht University, Universiteitsweg 99, 3584 CG Utrecht, Netherlands

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jz301479j

Reference31 articles.

1. Probing the Electronic Structure of a Photoexcited Solar Cell Dye with Transient X-ray Absorption Spectroscopy

2. Charge transfer to solvent identified using dark channel fluorescence-yield L-edge spectroscopy

3. Direct Contact versus Solvent-Shared Ion Pairs in NiCl2 Electrolytes Monitored by Multiplet Effects at Ni(II) L Edge X-ray Absorption

4. Core Level Spectroscopy of Solids

5. The CTM4XAS program for EELS and XAS spectral shape analysis of transition metal L edges

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