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"
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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).
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2024-05-08



