Vol. 17, issue 11, article # 14

Bykov A. D., Voronina S. S. Simulation of high-excited RV states of triatomic XY2(C2v) molecules. // Atmospheric and oceanic optics. 2004. V. 17. No. 11. P. 841-847. PDF
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Abstract:

The model problems for high-exited ro-vibrational states of triatomic molecules such as Н2О, СН2, NH2, and hydrogen ion Н3,+ are considered. The model approach is based on an iterative solution of the Schrodinger equation by successive improvement of "trial" wave functions. These trial wave functions are eigenfunctions of some reduced, exactly solvable Hamiltonian, describing a particular motion in the molecule: bending or stretching vibration and molecular rotation.