Computational approaches for XANES, VtC-XES, and RIXS using linear-response time-dependent density functional theory based methods

Author:

Nascimento Daniel R.1,Govind Niranjan2ORCID

Affiliation:

1. Department of Chemistry, The University of Memphis, Memphis, TN, 38152, USA

2. Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, USA

Abstract

Time-dependent density functional theory provides a sufficiently accurate framework to study X-ray spectroscopies.

Funder

U.S. Department of Energy

University of Memphis

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference187 articles.

1. High-Resolution X-ray Emission and X-ray Absorption Spectroscopy

2. J.Stöhr , NEXAFS Spectroscopy , Springer-Verlag , 2003

3. F.De Groot and A.Kotani , Core Level Spectroscopy of Solids , CRC Press , 2008

4. HERFD-XAS and valence-to-core-XES: new tools to push the limits in research with hard X-rays?

5. Recent advances in ultrafast X-ray sources

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