The potential model of G. Thompson et al. [J. Mol. Spectrosc. 124, 130-138 (1987)] for an analysis of the vibrational-rotational and the rotational spectra of diatomic molecules is modified by an algebraic WKB treatment of the Schro Β¨dinger equation given by Watson's effective Hamiltonian. A compact
Determination of vibrational quantum numbers of diatomic molecules using a variational method
β Scribed by C.R. Vidal
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 356 KB
- Volume
- 65
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The method is based on a variational method xxhich gives vibrationat quantum nun~brrs for 1, hich the measured term v&es are described by the quantum mechanical energy eisenvatues of a rotating vibrator. The method is applied to the AtE* states of the 4oCaz .md of the 6LiH molecuk.
π SIMILAR VOLUMES
Alternative expressions for vibrational and rotational spectrum constants and energies of diatomic molecular electronic states based on perturbation theory are suggested. An algebraic method (AM) is proposed to generate a converged full vibrational spectrum from limited energy data, and a potential
This paper describes a set of subprograms to calculate accurate eigenvalues of the radial Schrbdinger equation using a recent simplified shooting method. A total of nine subprograms were written to deal with three different potentials (Morse, Lennard-Jones and RKR) using one of three difference equa