WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics for distinguishable particles. It can be used to solve one or more (i.e. coupled channels) time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can simulate modern experiments using ultrashort light pulses in photo-induced physics or chemistry. The extended graphical capabilities allow visualization of wavepacket dynamics 'on the fly', including Wigner transforms to phase space. WavePacket is especially suitable for teaching of quantum mechanics as well as for research projects in physics, chemistry, and scientific computing.
While the Matlab version is already in a stable and mature state, the C++ version is still under construction aiming at an object-oriented rewrite of the WavePacket codes.
- Time-independent Schrödinger equation
- Time-dependent Schrödinger equation
- Liouville-von Neumann equation (Lindblad/Redfield)
- Control by external fields (semiclassical)
- Dimension reduction by balanced truncation
- Many demonstration examples with movies