linear symmetric triatomic moleculehighly excited quantum statestwo-degree-of-freedom systemThe effect of dissipation on quantum states whose energy is in a range where the classical dynamics is largely chaotic is studied in detail. The model system used in the H茅non-Heiles Hamiltonian where the ...
Results from calculations on the triatomic molecules HNSx, HSN x, HPSx, and HNSx (x = -1, 0 , +1) and their low lying electronic excited states are reported. Binging energies of the complexes are found to be significant, implying that these complexes may be observable. It is also ...
Wavepacket approach to triatomic photodissociation and molecule-surface reactive scattering.The theoretical and computational details of the wavepacket approach to molecular dynamics are presented. Several novel methods for wavepacket propagation which maximize computational efficiency are highlighted. Wavepacket ...