Quantum vibronic effects on electronic properties of molecular crystals

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I am happy to share our latest work on quantum vibronic effects on organic molecules and molecular crystals just published in JCTC. Together with PyEPFD and i-PI-Qbox coupling scheme that I have been developing for the last few years, we have benchmarked the state of art methodologies for including quantum effects due to nuclear motion on the electronic properties. Please checkout the paper for more information: J. Chem. Theory Comput. 2023, 19(13), 4011.

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