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#27 NIP

Wiki
closed
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2020-12-07
2020-04-01
No

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

Related

Tickets: #27

Discussion

  • Burkhard Schmidt

    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:


    *[tickets:#27] https://sourceforge.net/p/wavepacket/tickets/27/ NIP *

    Status: open
    Milestone: Wiki
    Created: Wed Apr 01, 2020 04:54 AM UTC by Pinit Ariyageadsakul
    Last Updated: Wed Apr 01, 2020 04:54 AM UTC
    Owner: Burkhard Schmidt

    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


    Sent from sourceforge.net because you indicated interest in
    https://sourceforge.net/p/wavepacket/tickets/27/

    To unsubscribe from further messages, please visit
    https://sourceforge.net/auth/subscriptions/

    --
    ----------------------------+----------------------------------------
    | PD Dr. Burkhard Schmidt | Email: burkhard.schmidt@fu-berlin.de |
    | Freie Universitaet Berlin | Phone: (+49) 30 / 838 - 51 382 |
    | Institute of Mathematics | (+49) 30 / 838 - 75 415 (secr.) |
    | Arnimallee 6, 14195 Berlin | sites.google.com/site/quantclassmoldyn |
    ----------------------------+----------------------------------------

     

    Related

    Tickets: #27

  • Pinit Ariyageadsakul

    Dear 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
    • Burkhard Schmidt

      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:

      Dear 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 how much populations in each channel are absorbed on NIP at
      each time step because
      each channel can coupling each other also
      so it seems that the absorbed wavefunctions cannot observe directly
      from movie.

      Best regards,

      Pinit


      *[tickets:#27] https://sourceforge.net/p/wavepacket/tickets/27/ NIP *

      Status: open
      Milestone: Wiki
      Created: Wed Apr 01, 2020 04:54 AM UTC by Pinit Ariyageadsakul
      Last Updated: Wed Apr 01, 2020 04:54 AM UTC
      Owner: Burkhard Schmidt

      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


      Sent from sourceforge.net because you indicated interest in
      https://sourceforge.net/p/wavepacket/tickets/27/

      To unsubscribe from further messages, please visit
      https://sourceforge.net/auth/subscriptions/

      --
      ----------------------------+----------------------------------------
      | PD Dr. Burkhard Schmidt | Email: burkhard.schmidt@fu-berlin.de |
      | Freie Universitaet Berlin | Phone: (+49) 30 / 838 - 51 382 |
      | Institute of Mathematics | (+49) 30 / 838 - 75 415 (secr.) |
      | Arnimallee 6, 14195 Berlin | sites.google.com/site/quantclassmoldyn |
      ----------------------------+----------------------------------------

       

      Related

      Tickets: #27

  • Pinit Ariyageadsakul

    Dear Prof. Dr. Burkhard Schmidt,

    Thank you for your valuable reply.

    Pinit

     

    Last edit: Pinit Ariyageadsakul 2020-04-06
  • Burkhard Schmidt

    • status: open --> closed
     

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