Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
87 (1987), S. 1205-1211
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Motivated by the observations of tunneling resonances in the rotation–vibration structures of the EF 1Σ+g double-minimum states of H2 and D2 we calculate the resonant tunneling frequencies of these states with a semiclassical formula, using accurate ab initio potential functions with appropriate adiabatic and rotational corrections. Good agreement is obtained with the corresponding two-state interaction energies which describe these tunneling resonances and which are evaluated by fitting either the experimental term values or the accurate quantum mechanical energy eigenvalues of the double-minimum oscillator.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.453300
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