[CPMD-list] ab initio molecular dynamics simulations at the excited state

[Axel Kohlmeyer]

On Fri, 22 Jun 2007, Xiulin Ruan wrote:

XR> Dear CPMD users,
XR> 
XR> We are trying to perform ab initio molecular dynamics simulations of a
XR> molecule (containing 21 atoms) at its first excited state. Can anyone point
XR> us to some work of this type?

there are plenty of references in the CPMD manual and particularly
on the CPMD home page.

cheers,
   axel.

XR> 
XR> Many thanks,
XR> 
XR> Xiulin
XR> 
XR> _______________________________________________
XR> CPMD-list mailing list
XR> CPMD-list at cpmd.org
XR> http://cpmd.org/mailman/listinfo/cpmd-list
XR> 

-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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