Calculation of the rotational Raman spectrum of H2 in ice
Mei, H. S. ; Xiao, L. ; Coker, D. F.
College Park, Md. : American Institute of Physics (AIP)
Published 1996
College Park, Md. : American Institute of Physics (AIP)
Published 1996
| ISSN: |
1089-7690
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|---|---|
| Source: |
AIP Digital Archive
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| Topics: |
Physics
Chemistry and Pharmacology
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| Notes: |
Calculation of the rotational Raman spectrum of H2 in ice Ih is reported using previously developed nonadiabatic correlation function methods and accurate potentials. We explore the importance of the quantal treatment of the H2 center-of-mass translational motion. Calculated rotational Raman linewidths quantitatively reproduce experimental results. Observed differences in trends in bandwidth for liquid and solid phases are understood in terms of time scale and strength of dynamical mixing of rotational states. © 1996 American Institute of Physics.
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| Type of Medium: |
Electronic Resource
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| URL: |