Nonadiabatic Nuclear–Electron Dynamics: A Quantum Computing Approach

Coupled quantum electron–nuclear dynamics is often associated with the Born–Huang expansion of the molecular wave function and the appearance of nonadiabatic effects as a perturbation. On the other hand, native multicomponent representations of electrons and nuclei also exist, which do not rely on a...

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Bibliographic Details
Published in:The journal of physical chemistry letters 2023-08, Vol.14 (31), p.7065-7072
Main Authors: Kovyrshin, Arseny, Skogh, Mårten, Tornberg, Lars, Broo, Anders, Mensa, Stefano, Sahin, Emre, Symons, Benjamin C. B., Crain, Jason, Tavernelli, Ivano
Format: Article
Language:English
Subjects:
Physical Insights into Chemistry, Catalysis, and Interfaces
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