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Journal of the Optical Society of America B

Atoms in strong, oscillating electric fields: momentum-space solutions of the time-dependent, three-dimensional Schrödinger equation

Lee A. Collins, A. L. Merts

Published Apr 1, 1990• 17 citations
Publisher

Abstract

We have developed a procedure for solving the three-dimensional, time-dependent Schrödinger equation by expanding the total system wave function in a Volkov basis and by propagating the resulting first-order differential equations in time. We discuss applications to several model systems representing an atom in an intense, oscillating electric field.

DOI
10.1364/josab.7.000647

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We have developed a procedure for solving the three-dimensional, time-dependent Schrödinger equation by expanding the total system wave function in a Volkov basis and by propagating the resulting first-order differential equations in time. We discuss applications to several model systems representing an atom in an intense, oscillating electric field.
In the previous chapter, the postulates helped us to use the wave function to find the expected results of experimental measurements by letting a dynamical quantity F (x, p, t) → F (xˆ, pˆ, t) and integrating over space. In the examples, however, the wave functions were typically given and not derived from first principles. We now endeavor to find the appropriate wave functions for a variety of physical systems in one dimension by solving the Schro¨dinger equation where for time-independent cases, the total energy is an eigenvalue. In subsequent chapters, we will extend the method to three dimensions and develop the appropriate operators, eigenvalues, and eigenfunctions for angular momentum. We will also develop methods for examining time-dependent systems. The latter chapters address special systems of interest that may be referred to as applications of quantum mechanics.
Operator-difference multilayer schemes for solving the time-dependent Schrödinger equation up to sixth order of accuracy in the time step are presented. Reduced schemes for solving a set of coupled time-dependent Schrödinger equations with respect to the hyper-radial variable are devised using expansion of a wave packet over the set of appropriate basis angular functions. Further discretization of the resulting problem is realized by means of the finite-element method. The convergence of the expansion with respect to the number of basis functions and the efficiency of the numerical schemes are demonstrated in the exactly solvable model of an electric-field-driven two-dimensional oscillator (or a charged particle in a constant uniform magnetic field), in which we explicitly observed an effect of the periodical focusing and defocusing of the probability density flux.
There are certain prime features of physical systems—notably rotation and its associated angular momentum—that simply do not appear in a one-dimensional world. This chapter introduces the three-dimensional Schrodinger equation and applies it to the analysis of a particle in a three-dimensional box and to the spherically symmetric wave functions of hydrogen. The time-independent Schrodinger equation can be viewed in a way that gives it a family resemblance to many other differential equations of physics, and which expresses its structure in very general terms. A computer solution uses dimensionless variables based on natural units. The Schrodinger theory does not have the limitations of the Bohr theory. Schrodinger theory incorporates the well-established wave nature of matter and can be generalized to analyze systems for which the Bohr theory has proven inadequate: multi-electron atoms, chemical properties of atoms, molecular and solid-state physics and chemistry, as well as more subtle effects in hydrogen itself.
This chapter focuses on the time-dependent Schrödinger equation and its solutions for several prototype systems. It provides the basis for discussing and understanding quantum dynamics in condensed phases, however, a full picture can be obtained only by including also dynamical processes that destroy the quantum mechanical phase. Such a full description of quantum dynamics cannot be handled by the Schrödinger equation alone; a more general approach based on the quantum Liouville equation is needed. This important part of the theory of quantum dynamics is discussed in Chapter 10. Given a system characterized by a Hamiltonian Ĥ , the time-dependent Schrödinger equation is For a closed, isolated system Ĥ is time independent; time dependence in the Hamiltonian enters via effect of time-dependent external forces. Here we focus on the earlier case. Equation (1) is a first-order linear differential equation that can be solved as an initial value problem.
Time-independent and time-dependent forms of Schrodinger equations are presented in one and three dimensions along with their interpretations. Also, the time-independent version is shown to follow from the time-dependent version. For better conceptualization of wave motion, the general equation of wave motion is discussed and solved, explaining the physical significance of variables involved. Born interpretation of the wave function as a measure of the probability of finding the particle in a region of space at a given instant is described. The requirements to be fulfilled by the wave function for representing a physical world system are outlined.
The symmetric implicit operator-difference multi-layer schemes for solving the time-dependent Schr?dinger equation based on decomposition of the evolution operator via the explicit Magnus expansion up to the sixth order of accuracy with respect to the time step are presented. Reduced schemes for solving the set of coupled time-dependent Schr?dinger equations with respect to the hyper-radial variable are devised by using the Kantorovich expansion of the wave packet over a set of appropriate parametric basis angular functions. Further discretization of the resulting problem with symmetric operators is implemented by means of the finite-element method. The convergence and efficiency of the numerical schemes are demonstrated in benchmark calculations of the exactly solvable models of a one-dimensional time-dependent oscillator, a two-dimensional oscillator in time-dependent electric field by using the conventual angular basis, and the inexactly solvable model of a three-dimensional kicked hydrogen atom in a magnetic field by using a parametric basis of the angular oblate spheroidal functions developed in our previous paper (Chuluunbaatar O et al 2007 J. Phys. A: Math. Theor. 40 11485?524).