Vibrational echoes for classical and quantum solutes were presented. The infrared vibrational echo measurement had the capacity to discriminate among spectral line-broading processes. Modelling infrared vibrational echoes in condensed phase at the molecular level required computing the dynamics of large, anharmonic systems. Results showed that for a high-frequency solute coupled to a low-frequency solvent, a fully classical calculation could represent a reasonable approximation to the quantum mechanical result.
|Number of pages||10|
|Journal||Journal of Chemical Physics|
|Publication status||Published - Mar 15 2002|
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry