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Progress of Theoretical Physics

A New Approach to Green's Function of a Particle in One Dimension

Hirotsugu Matsuda

Published Apr 1, 1962• 12 citations
Publisher

Abstract

A new method for solving the Schrödinger equation of a particle moving in one dimension in a given static potential is presented in this paper. We start from the observation that the density matrix corresponds to a Laplace transform of Green's function, and satisfies a diffusion-type equation which may be regarded as representing a certain limit of a discrete Markoffian random walk process. Our method of solving the Schrödinger equation is to divide the space occupied by the system into non-overlapping regions, in each of which the Schrödinger equation can be solved. We then introduce a path concept so as to synthesize the solutions for the various regions and thereby formulate the one-particle Green's function. As an application of this formulation, the energy bands of a one-dimensional infinite system are treated. The condition for the existence of impurity band is derived, which qualitatively supports Anderson's theory on the absence of diffusion in certain random lattices.

DOI
10.1143/ptp.27.811

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A new method for solving the Schrödinger equation of a particle moving in one dimension in a given static potential is presented in this paper. We start from the observation that the density matrix corresponds to a Laplace transform of Green's function, and satisfies a diffusion-type equation which may be regarded as representing a certain limit of a discrete Markoffian random walk process. Our method of solving the Schrödinger equation is to divide the space occupied by the system into non-overlapping regions, in each of which the Schrödinger equation can be solved. We then introduce a path concept so as to synthesize the solutions for the various regions and thereby formulate the one-particle Green's function. As an application of this formulation, the energy bands of a one-dimensional infinite system are treated. The condition for the existence of impurity band is derived, which qualitatively supports Anderson's theory on the absence of diffusion in certain random lattices.
In this work, we present a new result which concerns the derivation of the Green function relative to the time-independent Schrodinger equation in two dimensional space. The system considered in this work is a quantum particle that have an energy E and moves in an axi-symmetrical potential. Precisely, we have assumed that the potential V(r), in which the quantum particle moves, to be equal to zero inside a disk (radius b) and to be equal a positive constant V0 in a crown of internal radius b and external radius a (b < a) and equal zero outside the crown (r > a). We have explored the diffusion states regime for which E > V0. We have used, to obtain the Green function, the continuity of the solution and of its first derivative at r = b and r = a. We have obtained the associate Green function showing the resonance energies (absence of the reflected waves) for the case E > V0.
A consistent scheme is proposed for quantizing the potential amplitude in the one-dimensional Schrödinger equation in the case of negative energies (lying in the discrete-spectrum domain). The properties of the eigenfunctions ϕ n ( x ) and eigenvalues α n corresponding to zero, small, and large absolute values of energy E < 0 are analyzed. Expansion in the set ϕ n ( x ) is used to develop a regular perturbation theory (for E < 0), and a general expression is found for the Green function associated with the time-independent Schrödinger equation. A similar method is used to solve several physical problems: the polarizability of a weakly bound quantum-mechanical system, the two-center problem, and the tunneling of slow particles through a potential barrier (or over a potential well). In particular, it is shown that the transmission coefficient for slow particles is anomalously large (on the order of unity) in the case of an attractive potential is characterized by certain critical values of well depth. The proposed approach is advantageous in that it does not require the use of continuum states.
This chapter solves the eigen-problems for a few simple one-dimensional systems to acquire experience in solving the Schrodinger eigen-equation. One-dimensional problems are physically interesting not only because they are simple, but also because a number of more complicated higher-dimensional problems can be reduced to the solutions of equations in one dimension. For a symmetric potential, an eigenfunction of the Schrödinger equation can be always chosen to have a definite parity. The probability density of the plane wave solution is a constant, independent of the spatial coordinate of the particle. The eigensolution of a particle in an infinite square well consists of an infinite number of discrete energy levels. In classical mechanics, a particle cannot penetrate a potential barrier whose height is higher than the energy of the particle.
Some recent results have shown that in addition to its role in quantum mechanics, the Schrödinger free particle equation in (1+1) dimensions describes second-order effects in ensembles of lattice random walks. This alternative classical context for Schrödinger's equation is independent of its role in quantum mechanics. In this paper we extend this result to include the case of Schrödinger's equation in (2+1) dimensions for a particle in a smooth bounded potential. The extension suggests that the new classical context of Schrödinger's equation is quite general.
Abstract In this paper Kalos proposed what is now known as the Green’s function quantum Monte Carlo (GFQMC) method for solving the Schrödinger equation. Kalos made the “critical” observation that the time-independent Schrödinger equation could be transformed into an integral equation for which the Green’s function is known if the boundary conditions correspond to the wavefunction vanishing at infinity. In a 3n-dimensional space R the integral form is (modified here) an equation which may be simulated by a random walk process in which particles at positions R’ are altered in weight by the V / E term and moved to new positions R obtained by sampling the Green’s function G(R’,R). As for simple diffusion, repetition leads to a distribution of particles corresponding to the lowest-energy wavefunction from which the energy E may be determined. Since time is not involved, there is no time-step error associated with the procedure. The term V / E must remain positive if mixed signs for particle weights are to be avoideda. Kalos examined the utility of the method in determining the boson ground-state energies for several three- and four-body nuclear problems involving pairwise-additive interactions with square, Gaussian, and exponential wells. The errors in the computed binding energies were estimated to be about 1%.