Title of article :
Reduction of spectra to parameters of an effective diatomic Hamiltonian containing the generalized potential-energy function with correct long-range part. Application to ArH+ in the ground electronic state
Author/Authors :
Gregory G. and Surkus، نويسنده , , A.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1997
Pages :
5
From page :
236
To page :
240
Abstract :
Infrared and microwave spectra of ArH+ spanning more than half the potential well depth (in total 331 lines belonging to six isotopomers) are reduced to parameters of an effective Hamiltonian containing the generalized potential-energy function (GPEF) and adiabatic and nonadiabatic corrections. The reduced standard deviation of the fit is 0.831. The procedure ensures a qualitatively correct long-range behaviour of the diatomic potential: the GPEF of ArH+ reproduces the experimental value of the dissociation energy, has a correct R−4 asymptotic behaviour, and reproduces the limiting inverse-power long-range potential coefficient C4. The advantages of this method of solving the inverse spectral problem are demonstrated by comparison with previous analyses of spectral data of ArH+.
Journal title :
Chemical Physics Letters
Serial Year :
1997
Journal title :
Chemical Physics Letters
Record number :
1771635
Link To Document :
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