and Computation of Molecular Constants αe and ωexe
نویسنده
چکیده
The value of adjustable parameter C and the four-parameter potential U(r) = De [ 1−exp[−b(r−re)] 1−Cexp[−b(r−re)] ]2 has been expressed in terms of molecular parameters and its significance has been brought out. The potential so constructed, with C derived from the molecular parameters, has been applied to ten electronic states in addition to the states studied by Wei Hua. Average mean deviation has been found to be 3.47 as compared to 6.93, 6.95 and 9.72 obtained from Levine2, Varshni and Morse potentials, respectively. Also Dunham’s method has been used to express rotation-vibration interaction constant (αe) and anharmonocity constant (ωexe) in terms of C and other molecular constants. These relations have been employed to determine these quantities for 37 electronic states. For αe, the average mean deviation is 7.2% compared to 19.7% for Lippincott’s potential which is known to be the best to predict the values. Average mean deviation for (ωexe) turns out to be 17.4% e-mail: [email protected]
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