Quantum dynamics by the constrained adiabatic trajectory method

Abstract

We develop the constrained adiabatic trajectory method (CATM) which allows one to solve the time-dependent Schrödinger equation constraining the dynamics to a single Floquet eigenstate, as if it were adiabatic. This constrained Floquet state (CFS) is determined from the Hamiltonian modified by an artificial time-dependent absorbing potential whose forms are derived according to the initial conditions. The main advantage of this technique for practical implementation is that the CFS is easy to determine even for large systems since its corresponding eigenvalue is well isolated from the others through its imaginary part. The properties and limitations of the CATM are explored through simple examples.

12 pages

Cited by in corpus (3)

• Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices
• Development of a general time-dependent absorbing potential for the constrained adiabatic trajectory method
• Global integration of the Schrödinger equation: a short iterative scheme within the wave operator formalism using discrete Fourier transforms