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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"

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https://zenodo.org/record/11153001
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资源简介:
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).
创建时间:
2024-05-08
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