QTMPS

Quantum Theory & Many-Particle Systems

Prof. Dr. Dieter Bauer

Quantum Theory & Many-Particle Systems

Quantum Theory & Many-Particle Systems

Prof. Dr. Dieter Bauer

Quantum Theory & Many-Particle Systems

Quantum Theory & Many-Particle Systems

Prof. Dr. Dieter Bauer

Qprop


"If anything has been made foolproof, a better fool will be developed"
from Hairer et al., "Solving ODEs I", Springer 1987

 

  • What is it?
    Qprop is a time-dependent Schrödinger (or Kohn-Sham) solver, designed for the study of atoms (or other spherical systems) in intense (laser) fields.
     
  • What do I need to run it?
    Qprop comes as C++ source code. The libraries blas, lapack, and f2c (all available free of charge)  should be installed. However, we also provide versions which compile without these libraries. The gsl library is required for Qprop 2.0 and 3.0.
     
  • Any documentation available?
    Yep. There's a manuscript(Comp. Phys. Comm. 174, 396 (2006) or [physics/0507089]), containing several examples. More details are given here.
    Documentation on version 2.0 can be found here and in this published article.
    Documentation on version 3.0 can be found here and in this published article.
     
  • Where can I get it?
    On the download page. However, I suggest to consult the available documentation first. Although Qprop is quite versatile there are a lot of applications it isn't suited for. The slim version 1.92 is of slightly reduced functionality but runs without lblas, lapack, and f2c. The t-SURFF method for the calculation of photoelectron spectra has been implemented from version 2.0 on. From Qprop 3.0 on, the i-SURFV "trick" for the faster calculation of photoelectron spectra is included.
     
  • Are there particular terms of use?
    Qprop is for non-profit use only. If results obtained using Qprop are published, a citation of the respective Qprop paper (1, 2, or 3) is compulsory.
     
  • Is there support?
    Depends on the question you have  ;-)   Better don't expect any since we are all busy with our own research. In particular, we are not serving as simulation slaves to experimentalists. After all, we have published Qprop so that experimentalists can perform their simulations on their own.
     
  • I found a bug!
    Are you sure? It might be a feature! If you think you found a real bug please send an e-mail to dieter.bauer@uni-rostock.de. Known and corrected bugs are listed here.