Dan Liu

collaborators

2 papers

physics.chem-ph2019

Dynamical Jahn-Teller effect in the first excited C $_{60}^{-}$

Zhishuo Huang, Dan Liu

The Jahn-Teller effect of C $_{60}$ anions in the first electronically excited states was theoretically investigated. The orbital vibronic coupling parameters for the $t_{1 g}$ next…

physics.chem-ph2019

First principles study of the vibronic coupling in positively charged C $_{60}^{+}$

Zhishuo Huang, Dan Liu

Vibronic coupling parameters for C $_{60}^{+}$ were derived via DFT calculations with hybrid B3LYP and CAM-B3LYP functional, based on which the static Jahn-Teller effect were analyz…

Dynamical Jahn-Teller effect in the first excited C60−​

First principles study of the vibronic coupling in positively charged C60+​

Dynamical Jahn-Teller effect in the first excited C $_{60}^{-}$

First principles study of the vibronic coupling in positively charged C $_{60}^{+}$