Frequency dependent ab initio resonance Raman spectroscopy

1 Mar 2019Gergő KukucskaViktor ZólyomiJános Koltai

We present a new method to compute resonance Raman spectra based on ab initio level calculations using the frequency dependent Placzek approximation. We illustrate the efficiency of our hybrid quantum-classical method by calculating the Raman spectra of several materials with different crystal structures... (read more)

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