dorsal/arxiv
View SchemaPseudo-time Schroedinger equation with absorbing potential for quantum scattering calculations
| Authors | A. Neumaier, V. A. Mandelshtam |
|---|---|
| Categories | |
| ArXiv ID | physics/0101032 |
| URL | https://arxiv.org/abs/physics/0101032 |
| DOI | 10.1103/PhysRevLett.86.5031 |
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.
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"abstract": "The Schroedinger equation with an energy-dependent complex absorbing\npotential, associated with a scattering system, can be reduced for a special\nchoice of the energy-dependence to a harmonic inversion problem of a discrete\npseudo-time correlation function. An efficient formula for Green\u0027s function\nmatrix elements is also derived. Since the exact propagation up to time 2t can\nbe done with only t real matrix-vector products, this gives an unprecedently\nefficient scheme for accurate calculations of quantum spectra for possibly very\nlarge systems.",
"arxiv_id": "physics/0101032",
"authors": [
"A. Neumaier",
"V. A. Mandelshtam"
],
"categories": [
"physics.chem-ph"
],
"doi": "10.1103/PhysRevLett.86.5031",
"title": "Pseudo-time Schroedinger equation with absorbing potential for quantum scattering calculations",
"url": "https://arxiv.org/abs/physics/0101032"
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