@article{406342db8cf04b85869ad86f727e74f6,
title = "Quantum dynamics of coupled translational and rotational motions of H2 inside C60",
abstract = "We report rigorous quantum calculations of the translation-rotation (T-R) eigenstates of the H2 molecule in C60. The resulting level structure can be explained in terms of a few dominant features. These include the coupling between the orbital and the rotational angular momenta of H2 to give the total angular momentum λ, and the splitting of the sevenfold degeneracy of T-R levels with λ=3 by the nonsphericity of C60, according to the rules of the icosahedral Ih group.",
author = "Minzhong Xu and Francesco Sebastianelli and Zlatko Ba{\v c}i{\'c} and Ronald Lawler and Turro, {Nicholas J.}",
note = "Funding Information: Z.B. is grateful to the National Science Foundation for partial support of this research through Grant No. CHE-0315508. The computational resources used in this work were funded in part by the NSF MRI Grant No. CHE-0420870. Acknowledgment is made to the donors of the American Chemical Society Petroleum Research Fund for partial support of this research. N.J.T. thanks the NSF for support of this research through Grant No. CHE-0415516. Copyright: Copyright 2008 Elsevier B.V., All rights reserved.",
year = "2008",
doi = "10.1063/1.2828556",
language = "English (US)",
volume = "128",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "1",
}