Non-orthogonal basis sets for hyperspherical coordinate calculations on chemical reactions
In quantum reactive scattering calculations using hyperspherical coordinates a problem can arise in calculating Hamiltonian matrix elements between non-orthogonal basis functions from different reaction arrangement channels. The calculation of these matrix elements is considered here. It is shown th...
| Main Authors: | , , |
|---|---|
| Format: | Journal article |
| Sprog: | English |
| Udgivet: |
2001
|