Quantum dynamics study of the H2 molecule confined in Single-Walled Carbon Nanotubes

29th International Conference on Photonic, Electronic, and Atomic Collisions

Mondelo-Martell, Manel^1 ; Huarte-Larrañaga, Fermín^1

Departament de Química Física, Institut de Química Teòrica i Computacional, Universitat de Barcelona, Barcelona, Barcelona

08028, Spain^1

关键词: H2 molecule;    Hydrogen molecule;    Quantum dynamics;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/3/032057/pdf
DOI  :  10.1088/1742-6596/635/3/032057

来源: IOP

【 摘 要 】

The quantum dynamics of the hydrogen molecule confined in carbon nanotubes is studied using the MCTDH algorithm. Novel insights on the coupling between the different degrees of freedom are found and discussed for this system.