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Journal of Experimental and Theoretical Physics

Green’s Function of the Schrödinger Equation in the Potential Quantization Method

B. Ya. Balagurov

Published Mar 1, 2019• 0 citations
Publisher

Abstract

Abstract The problem for determining Green’s function G(r, r') for the time-independent Schrödinger equation is considered using the potential quantization method. The expression for G(r, r') is obtained in terms of the eigenfunctions and eigenvalues of this method. The equivalence of the used and traditional methods for solving the given problem has been proven.

DOI
10.1134/s1063776119020031

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Abstract The problem for determining Green’s function G(r, r') for the time-independent Schrödinger equation is considered using the potential quantization method. The expression for G(r, r') is obtained in terms of the eigenfunctions and eigenvalues of this method. The equivalence of the used and traditional methods for solving the given problem has been proven.
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.
A consistent scheme is proposed for quantizing the potential amplitude in the Schrödinger equation in the case of negative energies (lying in the discrete-spectrum domain). The properties of the eigenfunctions φν(r) and eigenvalues ανcorresponding to zero, small, and large absolute values of energy E < 0 are analyzed. Expansion in the set {φν(r)} 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 bound quantum-mechanical system, the two-center problem, and the elastic scattering of slow particles. The proposed approach is advantageous in that it does not require the use of continuum states (for E > 0).
A consistent scheme is proposed for quantizing the potential amplitude in the Schrödinger equation in the case of negative energies (lying in the discrete-spectrum domain). The properties of the eigenfunctions φν(r) and eigenvalues αν corresponding to zero, small, and large absolute values of energ y E<0 are analyzed. Expansion in the set φν(r) 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 bound quantum-mechanical system, the two-center problem, and the elastic scattering of slow particles. The proposed approach is advantageous in that it does not require the use of continuum states (for E>0).
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.
The paper considers the sensitivity of quantum dynamics systems with respect to parameters or features in the underlying Hamiltonians. The analysis allows for the calculation of the gradient of the wave function with respect to any well defined system parameters in the Hamiltonian. Differential sensitivity equations are derived from the Schrödinger equation and their solution is expressed in terms of a Green’s function. For scattering problems the necessary asymptotic Green’s function can be exclusively expressed in terms of the available solution to the original Schrödinger equation. Also considered are problems from time-dependent quantum mechanics. In this latter situation sensitivity theory allows for the calculation of gradients of the time evolution operator with respect to system parameters. The scattering formalism is illustrated with a study of the anisotropy coefficient sensitivity in the collision of an atom and a ridgid rotor. The time-dependent theory was applied to a collision-free molecular beam translating through a region of space containing electric and magnetic fields. This case examined the sensitivity of the molecular transition probabilities to field parameters. These brief examples serve to illustrate the potential usefulness of sensitivity analysis in quantum dynamics.
Different variants of the generalized formulation of the eigenvalue problem related to a single-particle Schrödinger equation are considered. The nature of the spectrum of problems for a bundle of operators containing the Hamiltonian of the system is analyzed in relation to the form of the weighting operator. For rather general conditions, corresponding systems of eigenfunctions provide diagonal representations of the Green’s function and provide of a rather fast convergence of expansions over intermediate states. Cases of potentials with Coulomb asymptotics and short-range potentials are considered.