Strange behaviour by molecule in Electric field

Pankaj Mishra pkmis... at gmail.com
Fri Nov 8 10:10:51 CET 2013


Hello,

As per my fundamental knowledge, polar molecule can rotate in electric 
field, not translate. Being more precise, here i am talking about 1 
molecule in non-periodic box. I didn't find any force to move in the field. 

Even non-polar molecule and single atom (H and Ne) are also translating in 
EF in CP2K. In the case of water cluster, the center of mass of whole 
system is translating. I have not found such behavior in other package like 
GAMESS .

This is a very serious issue for me. Please try to suggest something if i 
am missing anything in my input.

Thank you

Pankaj 

On Thursday, 7 November 2013 20:23:58 UTC+1, Matt W wrote:
>
> Hi,
>
> just wondering: why would you not expect a polar molecule to move in an 
> electric field?
>
> Matt
>
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