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Journal of Physics A Mathematical and General

Quantisation and density of eigenvalues from the Schrodinger equation for bounded systems

U Larsen

Published Jul 11, 1983• 6 citations
Publisher

Abstract

A general formulation of the eigenvalue condition is pointed out for a one-dimensional stationary part of a separable Schrodinger equation with finite bounds, i.e. where the wavefunction vanishes at two arbitrary values of the independent variable. The procedure is general and applies equally to other eigenvalue problems of second-order, homogeneous differential equations. Where appropriate a continuous density of eigenvalues can be defined and evaluated without first solving the eigenvalue problem. Illustrative examples are provided, including gravitational and harmonic oscillator potentials.

DOI
10.1088/0305-4470/16/10/010

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A general formulation of the eigenvalue condition is pointed out for a one-dimensional stationary part of a separable Schrodinger equation with finite bounds, i.e. where the wavefunction vanishes at two arbitrary values of the independent variable. The procedure is general and applies equally to other eigenvalue problems of second-order, homogeneous differential equations. Where appropriate a continuous density of eigenvalues can be defined and evaluated without first solving the eigenvalue problem. Illustrative examples are provided, including gravitational and harmonic oscillator potentials.
Abstract We discuss the procedure of solving the time-dependent Schrödinger equation via a separation ansatz that leads to the time-independent Schrödinger equation. The resulting equation is in the form of an eigenvalue problem for the Hamiltonian, whose solutions are the stationary states. We derive and discuss the bound states and corresponding energy levels for several one-dimensional potentials of interest, including the finite and infinite potential well, the Dirac-delta potential, and the square double-well modelling the spatial configuration of the ammonia molecule. We then turn to the scattered solutions and discuss reflection from and transmission through a finite potential barrier, thus encountering the tunnel effect, which we in turn formulate more generally using the Gamow factor. This leads us to the interesting phenomenon of tunnelling resonances
Stationary states General properties We shall consider first some general characteristics of the ‘stationary states’. These are eigenfunctions of the Hamiltonian operator: The requirement that ψ satisfies the Schrödinger equation fixes its time dependence: Notice that (4.1.2) can only be a solution if the external potential V is independent of the time: V = V ( x ). The initial function ψ 0 is not arbitrary but must satisfy the time-independent Schrödinger equation (4.1.1). Writing ψ = R e iS /ħ one thus has The following deductions may be made from (4.1.3): ( a ) The probability density is independent of the time: |ψ| 2 = R 2 0 ( X ). ( b ) The quantum potential Q = (- ħ2/2 mR 0 )∇ 2 R 0 is time-independent. Therefore so is the total effective potential: ( c ) The velocity field v = (l/ m )∇ S 0 is independent of time and hence the trajectories, found by solving m = v ( x )| x = x ( t ) , are solutions of Moreover, ψ 0 ( x ) is often a real function for many bound state problems of interest (although not for scattering states) which implies that the velocity is zero. The particle is at rest where one would classically expect it to move since the quantum force (- ∇ Q ) cancels the classical force (- ∇ K ). ( d ) The energy of all particles in the ensemble, -∂ S /∂ t , is a constant of the motion and equal to the energy eigenvalue: with (4.1.4), we have an example of the conservation of energy (cf. §3.9.3). ( e ) The total field energy is conserved: 〈Ĥ〉 = E . […]
The "quantum equation" should "carry the quantum conditions in itself" (Second Commun., p. 511); 2. There should be a special mathematical method for solving the stationary Schrödinger equation, which accounts for the non-classical character of the quantization problem, ie, which is different from the classical eigenvalue methods for calculating the (eigen)modes of strings, resonators and so on (ibid., p. 513);3. The derivation should uniquely decide, that the energy rather than the frequency values are discretized (ibid., pp.511, 519), since only the former means true quantization, while the latter corresponds to the classical discretization mentioned in requirement 2;4. The use of the classical expressions for the kinetic and potential energies should be justified (Fourth Commun., p. 113).Schrödinger's requirements 1 and 2 mean, that -contrary to the very title of the papersquantization is actually not an eigenvalue problem.For in the latter the discretization is imposed not by the differential equation itself, but by the boundary conditions, and this is the classical discretization for standing waves in organ pipes etc.I will fulfill all four requirements by treating quantization as a selection problem.The number of stationary states of a quantum system is smaller than that of a classical system [6].I will describe, (i), the selection of quantum systems out of the set of all mechanical systems and, (ii), the selection of their stationary states out of the continuum of classical stationary states.Earlier arguing [19][10] is improved and extended in several essential points. Elements of an Eulerian representation of classical mechanics Euler's axiomsLeonhard Euler [20][21][22][23][24][25] was the first to apply the calculus to all areas of mathematics and mechanics of his time, and he developed novel methods, such as the calculus of variations and topology.Moreover, he worked out an axiomatic of mechanics, where only Newton's Law (axiom) 1 concerning the conservation of stationary states is retained as an axiom, while Newton's Laws (axioms) 2 and 3 concerning the change of stationary states are treated as problems to be solved (for a detailed account, see [19][10][45]).This allows for introducing alternative equations of motion without loosing the contact to CM.The existence of stationary states is postulated in the following axioms (as in Newton's axioms, rotatory motion is not considered). Axiom E0: Every body is either resting or moving.This means, that the subsequent axioms E1 and E2 are not independent of each other; they exclude each other and, at once, they are in harmony with each other [22].
This chapter focuses on widely used approximate method: the numerical integration of the Schrodinger equation, restricting ourselves to one dimension for simplicity. There is a plethora of approaches that yield highly accurate numerical eigenvalues and eigenfunctions. In quantum mechanics one sometimes seeks after bound stationary states that satisfy given physical boundary conditions. Boundary conditions at infinity play a relevant role in quantum mechanics, in which case one looks for bound states that vanish asymptotically at the end points of coordinate interval. Solving the propagation matrix equation exactly for every coordinate pair in the physical interval is as difficult as solving the original differential equation. However, sometimes the former is preferable to develop approximate numerical algorithms for the accurate calculation of eigenvalues and eigenfunctions. The perturbation method based on the Taylor expansion only requires derivatives of the potential energy function, which one obtains easily in most cases and appears to be preferable for the systematic improvement of the approximate propagation matrix.
The partial-wave Schrödinger equation with real boundary conditions is recast as an equation for the probability density. When a small additional potential is included, the changes in the bound-state energy eigenvalues are obtained, up to third order in the perturbation, purely in terms of the perturbing potential and the unperturbed probability density. Although the approach is different, our results are equivalent to those derived by Bender (Bender C M 1978 Advanced Mathematical Methods for Scientists and Engineers (New York: McGraw-Hill) p 330). Knowledge of neither the unperturbed energy spectrum nor the wavefunctions of excited states is required. Evaluations of the second-order energy shift are given for some soluble S -wave problems.