Real-Time Time-Dependent Nuclear−Electronic Orbital...

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The Journal of Physical Chemistry Letters 2020 / 05

Real-Time Time-Dependent Nuclear−Electronic Orbital Approach: Dynamics beyond the Born–Oppenheimer Approximation

Zhao, Luning, Tao, Zhen, Pavošević, Fabijan, Wildman, Andrew, Hammes-Schiffer, Sharon, Li, Xiaosong
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Journal:
The Journal of Physical Chemistry Letters
DOI:
10.1021/acs.jpclett.0c00701
Date:
May, 2020
File:
PDF, 989 KB
2020
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