  WavePacket is an open-source program package for the numerical simulation of
quantum-mechanical dynamics. It can be used to solve time-independent or
time-dependent linear Schr\"odinger and Liouville-von Neumann-equations in one
or more dimensions. Also coupled equations can be treated, which allows to
simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation.
Optionally accounting for the interaction with external electric fields within
the semiclassical dipole approximation, WavePacket can be used to simulate
experiments involving tailored light pulses in photo-induced physics or
chemistry.The graphical capabilities allow visualization of quantum dynamics
'on the fly', including Wigner phase space representations. Being easy to use
and highly versatile, WavePacket is well suited for the teaching of quantum
mechanics as well as for research projects in atomic, molecular and optical
physics or in physical or theoretical chemistry.The present Part I deals with
the description of closed quantum systems in terms of Schr\"odinger equations.
The emphasis is on discrete variable representations for spatial discretization
as well as various techniques for temporal discretization.The upcoming Part II
will focus on open quantum systems and dimension reduction; it also describes
the codes for optimal control of quantum dynamics.The present work introduces
the MATLAB version of WavePacket 5.2.1 which is hosted at the Sourceforge
platform, where extensive Wiki-documentation as well as worked-out
demonstration examples can be found.
