ROTATIONAL, CONSTANTS IN THE LINEAR UNSYMMETRICAL BAB MOLECULE

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Date

1970

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Ohio State University

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Abstract

The behavior of the rotational constants for successive levels of a double-minimum potential is considered for the linear BAB molecule in which the A--B bonds are of unequal length. The vibration-rotation Hamiltonian is presented in a formalism which separates the large-amplitude antisymmetrical stretching coordinate from the vibrational part of the problem. Numerical integration of the corresponding wave equation gives eigenfunctions used to calculate the rotational constants for various values of the height of the potential barrier.

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Author Institution: National Bureau of Standards

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