| | CECAM workshop: Abstracts |
 | | In the time-correlation and spectral density functions of the solvent reaction coordinate, the frequency of the librational coupling motion is blue-shifted and its intensity is suppressed due to the solvent electronic polarization. |
 | | The method is applied to several examples of quantum dissipative dynamics in the condensed phase: the spin-boson problem with Debye spectral density as a model for electron-transfer reactions in polar solvents, electronic resonance decay in the presence of a vibrational bath, and ultrafast photoinduced electron-transfer reactions in mixed valence compounds [3]. |
 | | In the quantum-classical approach we use [1,2], the isolated quantum subsystem and bath obey quantum mechanics and classical mechanics, respectively, but their coupled evolution is given by quantum-classical equations of motion where a simple Newtonian description of the environmental degrees of freedom no longer exists. |
| research.chem.psu.edu /shsgroup/cecam/abstracts.html (3367 words) |