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The Journal of Chemical Physics

Momentum eigenfunctions in the complex momentum plane. V. Analytic behavior of the Schrödinger equation in the complex momentum plane. The Yukawa potential

Edwin N. Lassettre

Published Jan 15, 1985• 9 citations
Publisher

Abstract

A method for solution of the Schrödinger equation in momentum space is described. If the Schrodinger equation in momentum space is represented by Oχ=0, where O is an integral operator and χ is the momentum function, the method involves two steps: (i) the representation of χ as a rational function of P and (ii) expansion of Oχ in a power series in some appropriately chosen variable t (‖t‖≤1) which is a function of P. Equating to zero the coefficients of the first N powers of t (which determines the eigenvalues) makes Oχ differ from zero by terms of order tN. As N increases the eigenvalues approach the correct limiting values if the method converges. Within its circle of convergence a power series converges for both real and complex values of the variable and hence the Schrödinger equation, an integral equation, is forced to hold for both real and complex values of the variable. This is in contrast to variational methods which involve only real values of the independent variable. To test the method the motion of a particle in the field of a Yukawa potential is studied. Only the lowest energy state is considered. Two extreme cases, involving linear combinations of rational basis sets, are studied. Both basis sets are complete but the power series method converges only for one basis set. For the other set the power series method provides an eigenvalue which oscillates around the correct value without approaching a limit but a variation method using the same basis set converges rapidly to the correct eigenvalue. The variation method succeeds because the function is defined only on the real axis while the power series method fails because, in the complex plane, the basis set can only represent a meromorphic function (one whose only finite singular points are poles) and the momentum eigenfunction cannot be meromorphic. Thus the choice of a wrong basis set in a variation method can completely conceal the true analytic nature of an eigenfunction. It is shown that momentum eigenfunctions are not meromorphic because they possess branch points. This is true not only for the Yukawa potential but for several one-electron models including the Hartree–Fock equations.

DOI
10.1063/1.448509

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A method for solution of the Schrödinger equation in momentum space is described. If the Schrodinger equation in momentum space is represented by Oχ=0, where O is an integral operator and χ is the momentum function, the method involves two steps: (i) the representation of χ as a rational function of P and (ii) expansion of Oχ in a power series in some appropriately chosen variable t (‖t‖≤1) which is a function of P. Equating to zero the coefficients of the first N powers of t (which determines the eigenvalues) makes Oχ differ from zero by terms of order tN. As N increases the eigenvalues approach the correct limiting values if the method converges. Within its circle of convergence a power series converges for both real and complex values of the variable and hence the Schrödinger equation, an integral equation, is forced to hold for both real and complex values of the variable. This is in contrast to variational methods which involve only real values of the independent variable. To test the method the motion of a particle in the field of a Yukawa potential is studied. Only the lowest energy state is considered. Two extreme cases, involving linear combinations of rational basis sets, are studied. Both basis sets are complete but the power series method converges only for one basis set. For the other set the power series method provides an eigenvalue which oscillates around the correct value without approaching a limit but a variation method using the same basis set converges rapidly to the correct eigenvalue. The variation method succeeds because the function is defined only on the real axis while the power series method fails because, in the complex plane, the basis set can only represent a meromorphic function (one whose only finite singular points are poles) and the momentum eigenfunction cannot be meromorphic. Thus the choice of a wrong basis set in a variation method can completely conceal the true analytic nature of an eigenfunction. It is shown that momentum eigenfunctions are not meromorphic because they possess branch points. This is true not only for the Yukawa potential but for several one-electron models including the Hartree–Fock equations.
It is a commonplace that eigenfunctions in momentum space are the Fourier transform of eigenfunctions in position space. However, if we choose that space for which the relevant variables are chosen canonically conjugate to the position space variables, then the transform is not Fourier, but must involve the Jacobian of transformation between Cartesian coordinates and the curvilinear position space coordinates. (For Cartesian space the transform is Fourier.) In this work we find the correct form of the Hamiltonian in momentum space for the Yukawa potential. It is shown that the potential function in momentum space becomes an operator. The first term is shown to be the Coulomb operator in momentum space, while the remaining terms just mix other hydrogen atom momentum space functions. The resulting eigenvalues are in agreement with the comparable position space results. The analytic behavior of the eigenfunctions is examined. It is shown that all the singularities are poles (the function is meromorphic) and that all the poles lie along the imaginary axis no farther from the origin than p0 (the inverse of the Bohr radius). This result should be of considerable value in simplifying calculations with these functions.
Abstract The non-relativistic and relativistic wave equations of a particle are solved in momentum space for different kinds of fields. It is assumed that the potential, when defined in co-ordinate space, is central; but the method applies also to more general forms of momentum space potentials. First, the general integral equations which correspond, in momentum space, to Schrödinger and Dirac equations are derived, and the angular variables separated. Then, a general method of solution of these integral equations is given, which lies mainly on a transformation into a four-dimensional hyperspace. These results are (relativistically and non-relativistically) applied rigorously to the Coulombian field (hydrogen atom) and to the scalar Yukawa potential. A more general case is further investigated. In this, the momentum space potential can be expanded in a series of powers of the modulus of the momentum (this last application involves a cut-off procedure). A mathematical appendix deals with some properties of the hyperspherical harmonics (especially the integral equation of these functions) and with the Fourier transform of some kinds of central potentials.
The equivalence of analytic functions in complex variable representations with conserved functions in real variable representations is utilized to write eigenvalue equations for the energy and momentum on the complex planes. A self-consistent field method is then developed and used to study the scalar interactions of a particle gas with arbitrary coupling strength. The eigenvalue equations for momentum and energy yield equilibrium solutions which are functions only of the initial values and a renormalized coupling strength. The results are applied to the electron gas and to the Bose gas.
We formulate a continuity equation for the Schrödinger equation in the complex space. We define a complex momentum by normalizing the complex current by the particle density. This momentum is a quantum analog of the classical, kinematic momentum analytically continued into the complex plane. The kinematic momentum and the gradient of the wavefunction's phase each represent a fluid-like flow in the complex plane; the phase-gradient flow is incompressible. The zeros of the wavefunction give rise to simple poles in the momentum. The poles manifest as irrotational vortexes in the phase-gradient flow, while critical points of the wavefunction present as rigid body-like rotational flows of the kinematic momentum. A discrete nature of elementary excitations comes about inherently because the quantity of the poles is automatically integer. An exact quantization condition is subsequently formulated, which reduces to the Bohr-Sommerfeld condition in the semiclassical limit. We establish a priori that the Bohr-Sommerfeld condition must be exact for the Harmonic Oscillator. We show that the kinetic energy is a sum of contributions of the average value and fluctuations, respectively, of the kinematic momentum. The zero-point vibrations within bound states are solely due to the fluctuations of the momentum and manifest as rigid-body flows at infinity. The momentum poles -- and hence the wavefunction's zeros -- can be viewed as emergent, consistent with the remarkable property of quantum entanglement exhibited by standing wave solutions of the Schrödinger equation.
Schrodinger equation on a toroidal coordinate was proposed in theoretical physics to get the information and the behavior of the system of particle. It was solved just recently in case of a charged scalar particle interacting with a uniform magnetic field, a uniform electric field, and a neutral charge constrained to the surface. The methodology used in the referred work was to solve the Schrodinger equation using an approach outlined in the Whittaker-Watson treatise, which deals with an infinite-dimensional eigenvalue problem and specific particular values of the applied field for eigenfunction problem. In contrast, in the quantum mechanical problem, one had an infinite-dimensional generalized eigenvalue problem. This study aimed to obtain the non-relativistic energy eigenvalue and the radial wave function of the Schrodinger equation under the influence of Yukawa potential. The Supersymmetric Quantum Mechanics (SUSY QM) method was used as a basis to tackle the primary objective of this paper to study the problem of a particle with variable mass in toroidal coordinate. The proper super potential was used to deal with the hyperbolic form of effective potential, and the energy spectra were calculated for different quantum numbers, potential depth, and potential parameters. The radial wave function equation for ground and excited state were obtained. The results showed that the increasing value of the quantum numbers caused the energy spectra of the system to increase to the highest value when the quantum number was equal to the potential parameter, which means the most effective energy value was produced, then it was decreased afterward. While the energy value did not depend on the change of the potential parameter. This property could be used to produce this equation as an application of the previous results, the Schrödinger eigenfunction was used as the starting points to solve the other equation in the same geometrical setting and potential.
In most cases solving a quantum mechanical problem exactly is not always possible. In such a case, an analytic solution to the Schrödinger equation is appropriate. This results to numerical solutions that may not necessarily be the best approach. Interest sometimes may not necessarily be in the detailed eigenfunctions, but rather in the energy levels and the qualitative features of the eigenfunctions. So, the numerical solutions are usually less intuitively reasonable. It is possible to find the values of the energy levels to be slightly sensitive to the deviation of the wave function from its true form. So, the expectation value of the energy for an approximate wave function can be a very good estimate of the corresponding energy eigenvalue. Using an approximate wave function dependent on some set of variational parameters and minimizing its energy by these variational parameters yield such energy estimates. This technique is the so-called variational method due to this minimization procedure.