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Pseudo-time Schroedinger equation with absorbing potential for quantum scattering calculations

Chemical Physics 2009-11-07 v1

Abstract

The Schroedinger equation with an energy-dependent complex absorbing potential, associated with a scattering system, can be reduced for a special choice of the energy-dependence to a harmonic inversion problem of a discrete pseudo-time correlation function. An efficient formula for Green's function matrix elements is also derived. Since the exact propagation up to time 2t can be done with only t real matrix-vector products, this gives an unprecedently efficient scheme for accurate calculations of quantum spectra for possibly very large systems.

Keywords

Cite

@article{arxiv.physics/0101032,
  title  = {Pseudo-time Schroedinger equation with absorbing potential for quantum scattering calculations},
  author = {A. Neumaier and V. A. Mandelshtam},
  journal= {arXiv preprint arXiv:physics/0101032},
  year   = {2009}
}

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9 pages