Contribution of the Breakdown of the Born–Oppenheimer Approximation to Higher Order Dunham Coefficients
✍ Scribed by Hiromichi Uehara
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 147 KB
- Volume
- 188
- Category
- Article
- ISSN
- 0022-2852
No coin nor oath required. For personal study only.
✦ Synopsis
By means of a D v and D B formalism for correction parameters, expressions were derived for higher-order Dunham coefficients, Y * £J 04 , Y * £J 12 , and Y * £J 21 , in which contributions of the breakdown of the Born-Oppenheimer approximation were taken into account. Including Y * £J 04 , Y * £J 12 , and Y * £J 21 , and Dunham's Y 09 , Y 17 , and Y 25 coefficients in addition to the lower-order Y * £J ij
and Y k1 in the analysis, an extensive data set of the vibrational-rotational and the rotational transitions for four isotopomers of lithium hydride was fitted simultaneously to a single set of molecular constants within experimental errors. Since lithium hydride is a very light molecule, expressions shown in the present article should provide a means applicable to most cases of the spectral analysis of diatomic molecules in the 1 S state.
📜 SIMILAR VOLUMES
Evidence demojhstsating an explicit nuclear coordinate dependence bf efectr&c matrix e&&s in the tran&ion \_ moment for phosphorescence to the ground state'vibration~ maRifofd has been found for substituted benzenes by an opticaliy detected microwave double resonance esperimen:. Theoretical expressi
A Dunham treatment of an effective Hamiltonian for diatomic molecules in 2 ⌺ states that includes contributions of the Born-Oppenheimer breakdown has yielded an expression for vibrational-rotational energy by an expansion in powers of (v ϩ state and k ϭ 0, 1, . . . , j. Analytic expressions for the