Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
105 (1996), S. 8011-8019
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Present work studies the effective rotational Hamiltonians and their vibration–rotational parameters for XH2 and XH3 type molecules near the local mode limit by including the diagonal matrix elements of coordinate operators when the bond anharmonicity is significant. An improved "α relation'' is given for the local mode limit by taking the anharmonic bond oscillator wave function as the basis function. Then the rotational tunneling approach is extended to model the effect of nonzero interbond coupling for XH2 and XH3 type molecules, which provides a dynamical view of the rovibrational structure of the local mode states. © 1996 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.472714
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