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, including optimal control. The extended graphical capabilities allow visualization '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 and chemistry, see also the numerous demo examples in the Wiki here.

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.

Features

  • Time-independent Schrödinger equation
  • Time-dependent Schrödinger equation
  • Liouville-von Neumann equation (Lindblad dissipation)
  • Optimal control by external fields (semiclassical)
  • Dimension reduction by balanced truncation
  • Comes with extensive Wiki documentation
  • Many demonstration examples with movies
  • Matlab subproject: Version 5.3.0 released on 30-May-2017
  • C++ subproject: Version 0.2.1 released on 03-Apr-2018

Project Samples

Wavepacket approaching a conical intersection: Surface plot of adiabatic potentials and initial density Squeezed state of a harmonic oscillator: Wigner quasi-distribution with position and momentum densities as marginals

Project Activity

See All Activity >

Categories

Chemistry, Physics

License

GNU General Public License version 2.0 (GPLv2), Creative Commons Attribution License

Follow WavePacket

WavePacket Web Site

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Additional Project Details

Intended Audience

Science/Research, Advanced End Users

Programming Language

MATLAB, C++

Registered

2008-09-03
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