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arXiv:2107.14104 · American Journal of Physics

Green's functions in quantum mechanics courses

William J. Herrera, Herbert Vinck-Posada, Shirley Gómez Páez

Published Sep 22, 2022• 6 citations
arXivHTMLPDF

Abstract

The use of Green's functions is valuable when solving problems in electrodynamics, solid-state physics, and many-body physics. However, its role in quantum mechanics is often limited to the context of scattering by a central force. This work shows how Green's functions can be used in other examples in quantum mechanics courses. In particular, we introduce time-independent Green's functions and the Dyson equation to solve problems with an external potential. We calculate the reflection and transmission coefficients of scattering by a Dirac delta barrier and the energy levels and local density of states of the infinite square well potential.

DOI
10.1119/5.0065733

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The use of Green's functions is valuable when solving problems in electrodynamics, solid-state physics, and many-body physics. However, its role in quantum mechanics is often limited to the context of scattering by a central force. This work shows how Green's functions can be used in other examples in quantum mechanics courses. In particular, we introduce time-independent Green's functions and the Dyson equation to solve problems with an external potential. We calculate the reflection and transmission coefficients of scattering by a Dirac delta barrier and the energy levels and local density of states of the infinite square well potential.
The fractional Schrödinger equation is solved for a free particle and for an infinite square potential well. The fundamental solution of the Cauchy problem for a free particle, the energy levels and the normalized wave functions of a particle in a potential well are obtained. In the barrier penetration problem, the reflection coefficient and transmission coefficient of a particle from a rectangular potential wall is determined. In the quantum scattering problem, according to the fractional Schrödinger equation, the Green’s function of the Lippmann-Schwinger integral equation is given.
Abstract The Green function method is a powerful technique for solving the initial value problem in quantum mechanics. Once the Green function is solved the whole wavefunction evolution is represented in a concise form and can be evaluated conveniently by numerical integration. We present a method for constructing the Green functions systematically which is different from the conventional methods of eigenfunction expansion or path integration. By using variable changing, function substitution, and Fourier transforms, the time dependent Schrödinger equations can be simplified and the solutions for the simplified equations can be easily derived. We then obtain the Green functions for the original equations by the reverse transforms. The method is demonstrated for the linear potential, the harmonic oscillator, the centrifugal potential, and the centripetal barrier oscillator, where the Green function for the centripetal barrier oscillator has not been solved previously by conventional methods. The method and examples illustrated in this paper can be utilised to strengthen undergraduate courses on quantum mechanics and/or partial differential equation.
Time-dependent nonequilibrium Green's functions (TDNEGF) are shown to provide a flexible, effective tool for the description of quantum mechanical single particle scattering on a spatially localized, time-dependent potential. Focusing on numerical methods, arbitrary space and time dependence of the potential can be treated, provided it is zero before an initial time instant. In this case, appropriate version of the Dyson and Keldysh equations lead to a transparent description with clear physical interpretation. The interaction of a short laser pulse and an electron propagating initially in free space is discussed as an example.
The wave nature of particles plays an important role in their physical properties that, for example, particles confined into a small bounded area can have only particular discrete energies. This chapter explains how to solve the time-independent Schrodinger equation. It considers four cases of a one-dimensional motion of particles confined in potentials rapidly changing with x : infinite potential quantum well; a potential step; square-well potential; and tunneling through a potential barrier. The chapter helps to learn the characteristic properties of solutions to this equation. It shows the differences between the predictions of quantum mechanics and classical physics. Quantum tunneling is important in the understanding of a number of physical phenomena such as thermonuclear reactions and conduction in metals and semiconductors. The most advanced application of quantum tunneling is the scanning tunneling microscope. The details of the calculations are left for the readers as a tutorial problem.
Introduction Mathematically, given a linear differential operator L x , one encounters the solution to the inhomogeneous differential equation Here ρ ( x ) is a given source function. For a given boundary condition, we assume a solution to exist. The solution can be reduced to a simpler problem. Let G ( x, y ) is the Green's function. This is a function of x with y a parameter. Take G ( x, y ) to satisfy the same boundary conditions as φ ( x ). Then since An example of L x is, of course, the Schrödinger operator We take ρ ( x ) = V ( x ) ψ ( x , t ), ψ ( x , t ) being the wave function and V ( x ) the potential operator. We are interested in Green's functions taken over from the techniques of quantum field theory (Schweber, 1961; Lifshitz and Petaevskii, 1981). We will concern ourselves particularly with one- and two-time Green's functions, since our principal interest is to show a connection to the calculations of linear response theory (Chapter 15) as well as to quantum kinetic equations. Then we wish to compare the methods with those described in Chapter 4. In this we will follow the work of L. P. Kadanoff and G. Baym (1962) and of L. V. Keldysh (1965) and also Zubarev (1974). We will not discuss equilibrium statistical mechanics utilizing Green's function techniques for many-body problems. The literature is exhaustive (see Abrikosov et al. , 1963; Fetter and Walecka, 1971). A good general introduction is the book by G. D. Mahan (2000). One- and two-time quantum Green's functions and their properties Let us introduce the creation operator ψ † ( r, t ) and annihilation operator ψ ( r, t ) of the second quantization formalism (see Schweber, 1961). They have the equal time commutation rules for Bose and Fermi particles: The Hamiltonian operator for the particles is and the number density of particles at r t is the operator Note that r = ( r 1 … r N ) for (1, 2, 3, …, N ) and V (| r − r ′|) is the pair potential depending, as in Chapter 4, on the scalar distance between the particles.