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Journal of Chemical Education

Introduction to a quantum mechanical harmonic oscillator using a modified particle-in-a-box problem

Harvey F. Blanck

Published Feb 1, 1992• 1 citation
Publisher

Abstract

It is possible to create a hybrid problem having the simplicity of the particle-in-a-one-dimensional-box problem and energy level spacing similar to those of the harmonic oscillator.
DOI
10.1021/ed069p98

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Note Nov. 12, 2022 In (1) the discrete energy is e=bn b=constant and n=0,1,2,3... not n=1,2,3 .. as listed below. Ideas of entropy appeared before quantum mechanics was developed. In particular Planck introduced discrete energy levels: en where e= constant and n=1,2,3 to describe allowed energies of an oscillator representing allowed light in a blackbody as shown in (1). In such a case average energy and entropy may be calculated using formulas from Boltzmann. In (1) it is shown that if continuous energy is used entropy is undefined as T=temperature→0 while entropy→0 as T→0 if there are discrete energy levels. As noted this problem applies to light and uses an oscillator model, but leads to the notion of discrete energy levels. In this note we suggest using a particle in a box instead and consider only two levels for simplicity. We still use Boltzmann’s probability factor exp(- energy(i)/T) where i=1,2. In such a case the two probabilities are 1-exp(-e(i)/T) and exp(-e(i)/T). If there is a gap between e(1) and e(2) then as T→0 the particle is in state e(1) i.e. has an entropy of 0. If there is no gap then one has a problem as e(2)-e(1)-->0, but T→0 as well. Thus it seems that a gap must be introduced in order that entropy behave properly as already argued in (1). This gap for the particle in a box, however, violates Newtonian mechanics which allows all momentum p values. As a result given that a gap is needed it may also be the case that e1 does not correspond to p1=0 as in Newtonian mechanics. We used the term box above and argue that the concept of equilibrium and T seem to apply to a confined system i.e one with a length constraint for a 1D example.. For example, the Boltzmann factor exp(-e/T) may be derived considering probability densities n(e(i)) with e1+e2=e3+e4 and n(e1)n(e2) = n(e3)n(e4). This is the reaction balance approach, but it seems that the particle must be confined for such an approach to even be defined. Thus we argue that there is something “special” occurring due to this constraint i.e. confinement in space. If energy has gaps then for a particle in a box: energy = pp/2m so p=momentum itself must have gaps. Furthermore these gaps must be somehow linked to the length of the box. Thus momentum is being linked (and energy too) with length. In fact ,given that one has gaps and uniformity throughout the 1D box, one may consider the length being broken into integer equal sized portions L/n. This is already a crude notion of a wavelength and leads to the idea of allowed p momentum values being associated with L/n in some manner. Finally we note that Fermat’s principle already links an invariant space variable with momentum conservation in the same direction. The classical analogue is Maupertuis’ principle for particles with rest mass. In both cases one may link these approaches with the Lorentz invariant A=-Et+px which happens to be both the relativistic and nonrelativistic classical actions of a free particle. dA/dx partial = p so an eigenvalue equation is: -id/dx exp(ipx) = p exp(ipx) with b/p representing the wavelength. Thus one has a frequency proportional to 1/E and a wavelength proportional to 1/p. Any p, however, is allowed so there is no gap. There is, however, an association of length with p. Thus if a box with a T has a length constraint one may suggest fitting integer numbers of sine wave crests into the box to create the “gap” required by entropy considerations.

•Nov 12, 2022•0 citations
In this paper, we present a method for studying systems in the modified formulation of quantum mechanics known as Snyder space, proposed by Snyder (1947 Phys. Rev. 71 38–41). Snyder space predicts a modified commutation algebra for position and momentum operators. The method described in this paper introduces operators satisfying the canonical commutation relations and relates them to the position and momentum operators of Snyder space, effectively mapping a problem in Snyder space into a similar problem in standard quantum mechanics. The method is applied to the simple harmonic oscillator (SHO) in one and two dimensions as well as to the one-dimensional infinite square well. The energy spectra are calculated perturbatively for the SHO. We also find an exact spectrum for the one-dimensional infinite square well potential. These results are shown to agree with similar results found elsewhere in the literature.
This chapter discusses the problem of one particle in a one-dimensional box free of the potential energy inside the box, that is, no external force is exerted on the particle inside the box. The corresponding Schrödinger equation is given along with the boundary conditions which yields an elliptic second-order differential equation and the solutions are given next: the wave function, quantum numbers and corresponding energy. The normalized wave function is also given which is similar to that of the one-particle harmonic oscillator. Afterwards, the Hamiltonian function of the particle in a bidimensional box is given along with its wave function that is the product of two wave function of the particle in a one-dimensional box and the energy is the sum of two energy components, x and y, of the particle in a one-dimensional box. Finally, there is a couple of exercises to plot the wave functions of a rectangular box to find the probability density of the wave function for a symmetrical box. (164 words).
Note Nov. 12, 2022 In (1) the discrete energy is e=bn b=constant and n=0,1,2,3... not n=1,2,3 .. as listed below. Ideas of entropy appeared before quantum mechanics was developed. In particular Planck introduced discrete energy levels: en where e= constant and n=1,2,3 to describe allowed energies of an oscillator representing allowed light in a blackbody as shown in (1). In such a case average energy and entropy may be calculated using formulas from Boltzmann. In (1) it is shown that if continuous energy is used entropy is undefined as T=temperature→0 while entropy→0 as T→0 if there are discrete energy levels. As noted this problem applies to light and uses an oscillator model, but leads to the notion of discrete energy levels. In this note we suggest using a particle in a box instead and consider only two levels for simplicity. We still use Boltzmann’s probability factor exp(- energy(i)/T) where i=1,2. In such a case the two probabilities are 1-exp(-e(i)/T) and exp(-e(i)/T). If there is a gap between e(1) and e(2) then as T→0 the particle is in state e(1) i.e. has an entropy of 0. If there is no gap then one has a problem as e(2)-e(1)-->0, but T→0 as well. Thus it seems that a gap must be introduced in order that entropy behave properly as already argued in (1). This gap for the particle in a box, however, violates Newtonian mechanics which allows all momentum p values. As a result given that a gap is needed it may also be the case that e1 does not correspond to p1=0 as in Newtonian mechanics. We used the term box above and argue that the concept of equilibrium and T seem to apply to a confined system i.e one with a length constraint for a 1D example.. For example, the Boltzmann factor exp(-e/T) may be derived considering probability densities n(e(i)) with e1+e2=e3+e4 and n(e1)n(e2) = n(e3)n(e4). This is the reaction balance approach, but it seems that the particle must be confined for such an approach to even be defined. Thus we argue that there is something “special” occurring due to this constraint i.e. confinement in space. If energy has gaps then for a particle in a box: energy = pp/2m so p=momentum itself must have gaps. Furthermore these gaps must be somehow linked to the length of the box. Thus momentum is being linked (and energy too) with length. In fact ,given that one has gaps and uniformity throughout the 1D box, one may consider the length being broken into integer equal sized portions L/n. This is already a crude notion of a wavelength and leads to the idea of allowed p momentum values being associated with L/n in some manner. Finally we note that Fermat’s principle already links an invariant space variable with momentum conservation in the same direction. The classical analogue is Maupertuis’ principle for particles with rest mass. In both cases one may link these approaches with the Lorentz invariant A=-Et+px which happens to be both the relativistic and nonrelativistic classical actions of a free particle. dA/dx partial = p so an eigenvalue equation is: -id/dx exp(ipx) = p exp(ipx) with b/p representing the wavelength. Thus one has a frequency proportional to 1/E and a wavelength proportional to 1/p. Any p, however, is allowed so there is no gap. There is, however, an association of length with p. Thus if a box with a T has a length constraint one may suggest fitting integer numbers of sine wave crests into the box to create the “gap” required by entropy considerations.