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International Journal of Quantum Chemistry

On the time‐dependent solutions of the Schrödinger's equation. II. The one‐mode field perturbed harmonic oscillator

A. Palma, M. Villa, L. Sandoval

Published Oct 27, 2011• 3 citations
Publisher

Abstract

Abstract The solution of the time‐dependent Schrödinger's equation for a perturbed harmonic oscillator is obtained using a solvable Lie algebra. We choose a harmonic oscillator interacting with a one‐mode field, where the perturbation happens to be periodic in time. This leads to one of the simplest Floquet problems. Using the Wei–Norman theorem, the Floquet wave function is obtained as well as the semiclassical Floquet shift in the energy. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011

DOI
10.1002/qua.23253

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Abstract The solution of the time‐dependent Schrödinger's equation for a perturbed harmonic oscillator is obtained using a solvable Lie algebra. We choose a harmonic oscillator interacting with a one‐mode field, where the perturbation happens to be periodic in time. This leads to one of the simplest Floquet problems. Using the Wei–Norman theorem, the Floquet wave function is obtained as well as the semiclassical Floquet shift in the energy. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
We apply the Floquet theorem and the resonating averages method to solve the Schrödinger equation of the harmonic oscillator whose frequency varies periodically with time. We determine its Floquet states and its corresponding wave functions. The formalism provides an efficiency tool for analyzing the various transition probabilities as well as the uncertainty relation of the system. The effect of a periodic external force on the Floquet states and the two-photon algebra realization are shortly discussed.
The problem of the interaction of a quantum system having discrete states, with a classical oscillating field, is reexamined as a problem in the solution of the time-dependent Schrodinger equation with a periodic Hamiltonian. A method is presented for approximating the time-dependent Hamiltonian with a time-independent one in the weak oscillating field case. With the aid of Floquet's theorem the problem is exactly converted to one with a time-independent Hamiltonian represented by an infinite matrix. The approximation of only two states then permits finding the resonance line shape by perturbation theory for both single and multiple quantum transitions with equal ease. The simple case of only two states connected by an off diagonal sinusoidal perturbation is studied in detail, and a complete description of the average transition probability is found for the strong oscillating field case. A few more complex cases are discussed. A deeper understanding of the analysis is obtained by examining the theory with the oscillating field quantized. Experimental verification of the theory could best be obtained by the methods of atomic beam spectroscopy at radio frequencies.
The Floquet theorem allows one to reformulate periodic time-dependent problems such as the interaction of a many-body system with a laser field in terms of time-independent, field-dressed states, also known as Floquet states. If this was possible for density-functional theory as well, one could reduce in such cases time-dependent density-functional theory to a time-independent Floquet density-functional theory. We analyze under which conditions the Floquet theorem is applicable in a density-functional framework. By employing numerical ab initio solutions of the interacting time-dependent Schr\"odinger equation with time-periodic external potentials we show that the exact effective potential in the corresponding Kohn-Sham equation is not unconditionally periodic. Whenever several Floquet states in the interacting system are involved in a physical process the corresponding Hartree-exchange-correlation potential is not periodic with the external frequency only. Using an analytically solvable example we demonstrate that, in general, the periodicity of the time-dependent Kohn-Sham Hamiltonian cannot be restored by choosing a different initial state. Only if the external periodic potential is sufficiently weak such that the initial state of the interacting system evolves adiabatically to a single, field-dressed state, the resulting Kohn-Sham system admits the application of the Floquet theorem.
In this chapter,we shall analyze the particular case of an atom interacting with a laser pulse whose duration is sufficiently long, so that the evolution of the atom in the laser field is adiabatic. When this condition is fulfilled, the atom can be considered to interact with a monochromatic laser field. As a consequence, the Hamiltonian of the system is periodic in time, and the Floquet theory [1] can be used to solve the time-dependent Schrödinger equation (TDSE) non-perturbatively. We begin in Section 4.1 by considering the Hermitian Floquet theory. We first derive the Floquet theorem for a monochromatic, spatially homogeneous laser field and show that the solutions of the TDSE correspond to dressed states having real quasi-energies , which can be obtained by solving an infinite system of time-independent coupled equations. We then generalize the Floquet theory to multicolor laser fields and to “non-dipole” laser fields which are not spatially homogeneous. In Section 4.2, the Floquet theory is applied to study the dynamics of a model atom having M discrete levels interacting with a monochromatic laser field. In this case, the coupling between the bound and continuum atomic states is neglected.We analyze the relationship between the Floquet theory and the rotating wave approximation, and examine the perturbative limit of the Floquet theory. We also consider the population transfer between Floquet dressed states.
The interaction of a quantum system with an oscillating field is studied in a formalism which replaces the semiclassical time-dependent Hamiltonian with a time-independent Hamiltonian represented by an infinite matrix. The formalism is developed as a mathematical equivalent to the semiclassical treatment, and interpreted as a classical approximation to the quantum treatment of the field. Combined with a perturbation theory for two nearly degenerate states, the formalism provides a convenient method for determining resonance transition probabilities including frequency shifts and multiple quantum transitions. The theory is illustrated by a detailed study of the simple case of a two-state system excited by a strong oscillating field.