Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes-Reference-Cited by-同舟云学术

Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes

Published:2022-01-24 Issue:2 Volume:18 Page:1003-1016
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Montorsi Francesco¹,Segatta Francesco¹^ORCID,Nenov Artur¹^ORCID,Mukamel Shaul²^ORCID,Garavelli Marco¹^ORCID

Affiliation:

1. Department of Industrial Chemistry “Toso Montanari”, University of Bologna, Viale del Risorgimento, 4, 40136 Bologna, Italy

2. Department of Chemistry and Department of Physics & Astronomy, University of California, Irvine, California 92697-2025, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00566

Reference70 articles.

1. The ultrafast X-ray spectroscopic revolution in chemical dynamics

2. Roadmap of ultrafast x-ray atomic and molecular physics

3. First Evidence of Purely Extreme-Ultraviolet Four-Wave Mixing

4. X-ray free-electron lasers

5. Real-time observation of valence electron motion

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