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...
| Main Author: | |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
1983
|