Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
102 (1995), S. 8916-8921
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
An adiabatic separation is applied to two coupled Morse oscillators. The resulting approximate energies and wavefunctions are corrected for nonadiabatic interactions by means of the perturbation theory approach of Hutson and Howard supplemented by the "Padé divergent series summation'' technique. The convergence properties of the perturbation series are investigated as functions of the oscillator frequencies and coupling strengths varying over a wide range of values. The rate of convergency and accuracy of summability of the perturbation series depend strongly on the presence of accidental resonances among the adiabatic levels. For relatively well isolated levels, the series either converge strongly or can be summed very accurately for almost any strength of perturbation. In the case of close coincidence of more than two strongly coupled levels, the approach becomes unreliable. The convergency/summability problems faced in the "intermediate'' cases of two "adiabatically crossing'' levels appear to be curable by means of interpolating over the "near-degeneracy'' regions. © 1995 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.468945
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