GuGroup: Theoretical and Computational Chemistry

GuLab

Using quantum light to probe and manipulate molecules

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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