Published May 8, 2024
| Version v1
Dataset
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Computational data for "Measurement of Coherent Vibrational Dynamics with X-ray Transient Absorption Spectroscopy Simultaneously at the Carbon K- and Chlorine L$_{2,3}$- Edges"
Authors/Creators
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1.
University of California, Berkeley
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2.
Lawrence Berkeley National Laboratory
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3.
Stanford University
Description
Contains:
1. Code for and results from, time-dependent Schroedinger equation simulations for the molecular normal modes under strong electric fields inducing impulsive stimulated Raman processes.
2. Molecular orbitals obtained from ROKS calculations for the C 1s and Cl 2p excited states (with spin-free one-electron X2C).
Files
CCl4_data.zip
Additional details
Funding
- United States Department of Energy
- U.S. National Science Foundation
- Lawrence Berkeley National Laboratory
- University of California, Berkeley
- W. M. Keck Foundation
- United States Army Research Office