Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 4655-4664 |
| Number of pages | 10 |
| Journal | Journal of Chemical Physics |
| Volume | 116 |
| Issue number | 11 |
| DOIs | |
| Publication status | Published - Mar 15 2002 |
| Externally published | Yes |
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry