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WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations, partly also classical or quantum-classical Liouville equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics or chemistry, including quantum optimal control. Allowing for visualization of dynamics 'on the fly', WavePacket is easy to use .
First established in 2004, the present Matlab version is in a stable, mature state. Further development mainly by Burkhard Schmidt at WIAS and FU Berlin. See also our articles at
https://doi.org/10.1016/j.cpc.2016.12.007
https://doi.org/10.1016/j.cpc.2018.02.022
https://doi.org/10.1002/JCC.26045
Features
- Time-dependent/-independent Schroedinger equation
- Liouville-von Neumann equation with Lindblad dissipation models
- Quantum-classical dynamics (surface hopping trajectories)
- Optimal control by external electric fields (semiclassical)
- Dimension reduction by balanced truncation
- Comes with extensive Wiki documentation
- Many demonstration examples with animated graphics
- Visualization 'on the fly', Wigner transforms to phase space
- Latest version 7.2.1 released on 23-Jan-2024
- About 500...1000 downloads per year
Project Samples
User Reviews
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Easy to learn and use. Good options for visualisation. Suitable for learning as well as academic research. Highly recommended!
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Awesome quantum mechanics simulation tool, easy to understand, easy to use use (PhD level), surprisingly fast computation speed, great visualization, super-fast and friendly support! We use it for a scientific project on femtosecond electron diffraction at LMU München. As of 2017, there are open bachelor or master projects involving "WavePacket" (for background see www.ultrafast-electron-imaging.de).
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WavePacket is a really helpful program to deal numerically with quantum systems even for non experts in Matlab programing, like me! In addition, this packet contains various type of potentials and useful features on wavefunctions and energy states which give user a wide view on physical properties of the system. As an student I enjoy using a reliable and easy to use program like WavePacket.
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WavePacket is extremely well documented and contains numerous demo examples, which greatly facilitates the application and adaption of the code. Besides its use in research, the Matlab version is especially well suited for teaching, due to the integrated visualization routines. So far, I have used WavePacket in two research projects and highly recommend it.
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Versatile simulation program for relatively simple quantum mechanical simulations. Easy to approach, even if your experience with MatLab is very limited. The wiki User Guide and Reference Guide are very nice to lean on when getting acquainted with the program. The demos are very useful to understand the inner workings of the program. I would highly recommend it.