Abstract
A simple, semiempirical model that includes many-body polarization is used to study the ground and excited stateproperties of Ar+N clusters (N=3–23) at 80 K. For purposes of comparison, a model that does not include many-body polarization is used to study clusters with N=3–27.Monte Carlo simulations are used to calculate the average properties of these clusters. The model is similar to one previously used to study argon cation clusters without many-body polarization. The photoabsorptionspectrum is in good agreement with experiment; in particular, the photoabsorptionspectra for cluster sizes 4–10 do not show the blueshift that is seen with models that do not include many-body polarization.
| Original language | American English |
|---|---|
| Pages (from-to) | 7204-7210 |
| Number of pages | 7 |
| Journal | Journal of Chemical Physics |
| Volume | 113 |
| Issue number | 17 |
| DOIs | |
| State | Published - Jan 1 2000 |
| Externally published | Yes |
Keywords
- Polarization
- Cluster spectra
- Photoabsorption
- Monte Carlo methods
- Blue shift
Disciplines
- Physical Chemistry
Cite this
- APA
- Standard
- Harvard
- Vancouver
- Author
- BIBTEX
- RIS