WavePacket (Matlab/Octave) Files

Dynamics of quantum systems, controlled by external fields

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Name	Modified	Size	InfoDownloads / Week
Parent folder
WavePacket-7.2.0.zip	2024-01-18	5.7 MB	1
README.md	2024-01-18	892 Bytes	1
Totals: 2 Items		5.7 MB	2

Version 7.2.0 released (18-Jan-2024)

This version (Git hash value 36a004bb...) of WavePacket provides a number of useful extensions and fixes:

Added several variants of FSSH, among them the FSSH-2 described here
Added a variant of SSSH with a different hop criterion:
Added a variant of QTSH with a different equation of motion
Added the trapezoidal rule for propagating the electronic amplitudes
Added several potential energy models: mainly linear vibronic coupling with conical intersections
For momentum rescaling, simply use the norm of the NAC vectors
Fixed initial conditions for the splitting schemes
Improved bookkeeping of substeps in short time propagators
Minor changes of a few initial wave functions

Source: README.md, updated 2024-01-18

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