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. 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. WavePacket is suitable for teaching quantum mechanics as well as for research projects in physics and chemistry.

The present C++ version is an object-oriented rewrite of the existing Matlab version aiming to be more flexible. In particular, the goals are easy handling of open and closed systems and support for unusual setups.

Features

  • Time-dependent/-independent Schroedinger equation.
  • Arbitrary open systems (Liouville von Neumann equations)
  • Object-oriented code in C++ with Python interface
  • Latest version 0.3.6 released on 06-May-2024
  • More than 650 downloads in 2016

Project Activity

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License

ISC License, Public Domain
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Additional Project Details

Operating Systems

Linux, Mac, Windows

Intended Audience

Advanced End Users, Science/Research

Programming Language

C++

Related Categories

C++ Molecular Science Software, C++ Chemistry Software, C++ Physics Software

Registered

2012-12-07