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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| Materialtyp: | Journal article |
| Språk: | English |
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1983
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