Bagchi, B. ; Chandra, A. (1992) Ultrafast solvation dynamics: molecular explanation of computer simulation results in a simple dipolar solvent Journal of Chemical Physics, 97 (7). pp. 5126-5131. ISSN 0021-9606
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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v97/i7/p5126_...
Related URL: http://dx.doi.org/10.1063/1.463809
Abstract
Recently Perera and Berkowitz [J. Chem Phys. 96, 3092 (1992)] and Neria and Nitzan [J. Chem. Phys. 96, 5433 (1992)] carried out computer simulations of solvation dynamics of an ion in dense Stockmayer liquids. Both the simulations observed an ultrafast component which decays in a few tens of femtoseconds with a Gaussian time dependence. This is followed by a slow exponential-like decay with a time constant of a few picoseconds. It is shown here that many of the simulation results can be explained very well from a first principles theory with no adjustable parameter.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| ID Code: | 31045 |
| Deposited On: | 27 Dec 2010 08:24 |
| Last Modified: | 27 May 2011 09:21 |
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