X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac–Kohn–Sham density matrix-Reference-Cited by-同舟云学术

X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac–Kohn–Sham density matrix

Author:

Kadek Marius¹²³⁴⁵,Konecny Lukas⁶⁷⁸⁹¹⁰,Gao Bin¹²³⁴⁵,Repisky Michal¹²³⁴⁵,Ruud Kenneth¹²³⁴⁵

Affiliation:

1. Centre for Theoretical and Computational Chemistry

2. Department of Chemistry

3. University of Tromsø—The Arctic University of Norway

4. N-9037 Tromsø

5. Norway

6. Department of Inorganic Chemistry

7. Faculty of Natural Sciences

8. Comenius University

9. Bratislava

10. Slovak Republic

Abstract

We present the first four-component X-ray absorption spectrum obtained from the real-time solution of the TDDFT equation.

Funder

European Research Council

Norges Forskningsråd

Agentúra na Podporu Výskumu a Vývoja

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference38 articles.

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