Ultrafast Non-adiabatic Dynamics of Systems with Multiple Surface Crossing: A test of the Meyer-Miller Hamiltonian with Semiclassical Initial Value Representation Methods

EDUARDO ANDRES CORONADO; J. XING; W. H. MILLER

CHEMICAL PHYSICS LETTERS

Año: 2001 vol. 349 p. 521 - 521

0009-2614

Three three-states models have been studied to test the capabilities of the Meyer-Miller Hamiltoninan studdying non adiabatic phtododissocation dynamics within the framework of the semiclassical initila value representation (SC-IVR). The absorption spectra and the evolution of the electronic populations  were calculated using the SC-IVR methodology and they both show excellent agreement with accurate  quantum results. A linearized vesrion (LSC-IVR) was also tested and it describes the dynamics well at short times nut it becomes less acuurate at  longer time.