NEW TYPE OF ROTATIONAL BASIS FUNCTION FOR QUANTUM-MECHANICAL MOLECULAR COLLISION CALCULATIONS

A new type of rotational basis function for use in quantum-mechanical calculations on atom-diatomic-molecule collisions is described. The method involves multiplying the conventional spherical harmonic basis set by a ???localisation factor??? constructed from exp(A cos θ) functions, where θ is the a...

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主要作者: Clary, D
格式: Journal article
语言:English
出版: 1983