Gu Group: Theory & Computations

Chemistry, Geometry, and Renormalization Group

Software

PyQED

PyQED is the main program our group is actively developing. It is designed for quantum dynamics, ultrafast spectroscopy, and molecular QED simulations.

Method

Split-operator method

Useful notes

1.Normal modes and coordinates

2.Infrared Spectroscopy

3.Raman Spectroscopy

4.Föster Resonance Energy Transfer(FRET)























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