Dear Prof. Dr. Burkhard Schmidt,
I learn how to use WavePacket about three months. Your program is very useful for
my research interest. However, as I try to use NIP in WavePacket ver. 6.1.1. It is no output values
for absorbed wavefunctions, which is very important for further analysis. Thus, I have some question
about that how to obtain the strength of absorbed wavefunctions in WavePacket?
Thank you in advance,
Regards,
Pinit
Dear Pinit [cc Ulf],
first of all, thank you very much for your interest in our WavePacket
software.
Well, even though your question is not very specific, I will try to
answer it. Probably you want to know how much of the probability density
rho=|psi|^2 is absorbed near the edges of the grid. Assuming you refer
to the Matlab version, you can find this information in the upper right
of the plots/videos, where the total probability is shown as a black,
solid curve. For example, it that curve drops from 1.0 down to 0.9, then
you know that 10% got absorbed.
I hope that this helps to answer your question.
Best regards from Berlin/Germany
Burkhard
On 01.04.2020 06:54, Pinit Ariyageadsakul wrote:
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#27Dear Prof. Dr. Burkhard Schmidt,
Thank you very much for your help,
I have some more question, if I use coupled channels Shrodinger equation,
how to know much populations in each channel are absorbed on NIP at each time step because
each channel can coupling each other.
Therefore. it seems that the absorbed wavefunctions for each channels
cannot observe directly from movie.
Best regards,
Pinit
Last edit: Pinit Ariyageadsakul 2020-04-03
Dear Pinit,
yes, you are right, this is a good question, indeed. Sometimes one
really wants/needs to know how much population in each channel is
absorbed by the NIP.
The standard answer would be to calculate the flux through chosen
surfaces near the edge of the grid, i.e. near the beginning of the NIP
region. Then, by integrating the flux over time, the desired result can
be obtained. However, these approaches are currently not available in
WavePacket. And since I am rather busy with other projects these days,
this will remain so for the near future. I am sorry ...
Best regards from Berlin
Burkhard
On 03.04.2020 03:18, Pinit Ariyageadsakul wrote:
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#27Dear Prof. Dr. Burkhard Schmidt,
Thank you for your valuable reply.
Pinit
Last edit: Pinit Ariyageadsakul 2020-04-06