Wavepacket Animations

Currently available are wavepacket animations for the H3 system and the NeH2+ system. Each animation consists of 25 GIF-pictures (640x480), where the wavepacket is shown as a cut through 3D-space for a constant angle.

To view an animation follow the Animation link in the tables below. You can also view each single frame, by selecting frames in the tables.

H + H2 System

 calculation parameters (input file):

translational coordinate (R) 128 points 0.0001 ... 16.0
vibrational coordinate (r) 64 points 0.0001 ... 8.0
rotational coordinate 8 points Gauß-Legendre points

collision energy 0.65 eV
energy uncertainty 0.15 eV

propagation time 1152 fs
time step 1.92 fs

angle start ... show me ... remarks
164 ° Animation frames interval: 5 time steps
100 ° Animation frames interval: 5 time steps

Ne + H2+ System

 calculation parameters (input file):

translational coordinate (R) 256 points 0.0001 ... 16.0
vibrational coordinate (r) 32 points 0.0001 ... 8.0
rotational coordinate 8 points Gauß-Legendre points

collision energy 1.09 eV
energy uncertainty 0.14 eV

propagation time 2880 fs
time step 4.8 fs

angle start ... show me ... remarks
164 ° Animation frames interval: 5 time steps
100 ° Animation frames interval: 5 time steps
100 ° Animation frames interval: 1 time step

How does it work?

The animations on this page are controlled by the Java Animator Applet. Read the description of the Java Animator Applet to find out how it works and see some more examples.
© Uni-GH Siegen, (M. Heinen)
(created: 16-Sep-1997, changed: 10-Oct-1997)