[Wavepacket-user] Version 4.9.0 of WavePacket software just released ...

[Burkhard S. <Bur...@fu...>]

Dear all,

this email is to announce the release of Version 4.9.0 of the WavePacket 
software (06-Mar-2013), which is a MatLab program package for simulating 
quantum-mechanical wavepacket propagation/dynamics, optionally 
interacting with electric fields, and with animated graphics. Being 
highly versatile, it can be used mainly in (photoinduced) physics and 
chemistry. For further information, see our project at the SF website 
https://sourceforge.net/projects/wavepacket In addition to the 
long-standing PDE based solvers for time-independent (qm_bound) and 
time-dependent (qm_propa) Schroedinger equations, this version now comes 
with a general code to solve bilinear control problems in ODE setting 
(qm_control), accompanied with possibility for balanced truncation 
(qm_balance and qm_truncate). The necessary matrices A,B,N,C,D are 
provided by Matlab function qm_matrix which can be run for TDSE or LvNE 
setting for closed or open quantum systems, respectively. In addition, 
from now on we are using function packages (subdirectories whose name 
begins with +) such as to organize the source code directory in a 
convenient and efficient manner.

Finally we would also point out the changes associated with the 
introduction of the Allura GUI used to manage software projects at 
SF.net. From now on, there will be a Wiki and a Tracker, describing our 
WavePacket software and coordinating its further development, respectively.

Best regards from Berlin/Germany
Burkhard

-- 
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| PD Dr. Burkhard Schmidt   | Mailto:bur...@fu...   |
| Freie Universitaet Berlin | HTTP://page.mi.fu-berlin.de/bsch63     |
| Institute for Mathematics | Phone : (+49) 30 / 838 - 75 369        |
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