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

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.

9 pages

Cited by in corpus (4)

• Wigner's Dynamical Transition State Theory in Phase Space: Classical and Quantum
• Optimal reflection-free complex absorbing potentials for quantum propagation of wave packets
• The efficient computation of transition state resonances and reaction rates from a quantum normal form
• Electron and Spin Transport in the Presence of Complex Absorbing Potential