[CPMD-list] langevin molecular dynamics

[Martijn Zwijnenburg]

Hi,

I have a somewhat more general question. I've recently found an 
article where they used ab initio langevin quantum molecular 
dynamics (lqmd) to study the time evolution of a condensed system 
of silicon clusters. Now I know from classical langevin md that you 
use a stochastic force to describe the influence of temperature and 
I guess the same holds for lqmd. Being in this sence somewhat 
comparable to thermostatted Car-Parinello MD. 
I would like to know if somebody can tell me how good one can 
expect the results of lqmd to be compared to say thermostatted Car-
Parinello or Born-Oppenheimer MD? 

Cheers,

Martijn
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Martijn Zwijnenburg
Lab. of Applied Organic Chemistry and Catalysis
Delft University of Technology
Julianalaan 136
2628 BL Delft
The Netherlands
Tel: 0031-(0)152782691
Fax: 0031-(0)152784700
e-mail: M.A.Zwijnenburg at tnw.tudelft.nl
web page: http://come.to/tock