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

Xiulin Ruan ruan at purdue.edu
Fri Jun 22 21:07:10 CEST 2007


Dear CPMD users,

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

Many thanks,

Xiulin



More information about the CPMD-list mailing list