NEWTON-X
A package for
Newtonian dynamics close to the crossing seam
What is NX?
Surface
hopping
NX is a general-purpose program package for excited-state molecular dynamics, including
nonadiabatic
methods (Tully's surface hopping).
Modularity
NX modular development allows it to be easily linked
to any quantum chemistry package that can provide energy
gradients and nonadiabatic coupling vectors.
Documentation and Tutorial
Current
version (1.3)
In
the current version, NX can perform nonadiabatic dynamics using COLUMBUS,
TURBOMOLE,
GAUSSIAN,
and GAMESS program packages.
