A new method of calculation of Franck-Condon factors which includes allowance for anharmonicity and the Duschinsky effect: Simulation of the HeI photoelectron spectrum of ClO2
A new method of Franck-Condon (FC) factor calculation for nonlinear polyatomics, which includes anharmonicity and Duschinsky rotation, is reported. Watson's Hamiltonian is employed in this method with multidimensional ab initio potential energy functions. The anharmonic vibrational wave functio...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
2000-10-08.
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| Subjects: | |
| Online Access: | Get fulltext |