WavePacket is a MatLab program package for simulating quantum-mechanical wavepacket dynamics, optionally interacting with electric fields, and with animated graphics. Being highly versatile, it can be used mainly in (photoinduced) physics and chemistry.
|Tags||Scientific/Engineering Chemistry Physics|
|Operating Systems||OS Independent|
Release Notes: This release changes the way the program is started to simplify scripting. Multiple saved calculations can efficiently be loaded in parallel. Work has begun on Optimal Control Theory (RWA, propagation backwards in time). Implementation of basics for propagation in abstract basis and of density operators. Documentation updates and several bugfixes.
Release Notes: This release adds generation of plots from saved calculations, and printing to image sequences instead of an AVI file. There are some minor bugfixes. Several requirements from the GPL that were not met in previous versions have been resolved.
Release Notes: The code was made compatible with Matlab 7.6. Sums and products were added for operators and initial wave functions. Symbolic algebra were implemented for operators and initial wave functions. A rudimentary manual was added. Propagators now support manual intervention from the user (propagating stepwise, manipulating the wave function on the fly, etc.). A lot of output was added. A lot of cleanup and commenting were done.
Release Notes: Linear and quadratic chirp were added, including a demo. The way electric fields are interpolated was changed. Minor changes were made to the NaI potential. Several bugs were fixed.
Release Notes: This is the first release of a complete rewrite of the code using object orientation. Right now, the framework is mostly in place, and you can calculate expectation values of a harmonic oscillator.