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Revista Mexicana de Física E

On average forces and the Ehrenfest theorem for a particle in a semi-infinite interval

Salvatore De Vincenzo

Published Jan 12, 2013• 2 citations
OpenAlex

Abstract

"We study the issues of average forces and the Ehrenfest theorem for a particle restricted to a semi-infinite interval by an impenetrable wall. We consider and discuss two specific cases: (i) a free particle in an infinite step potential, and (ii) a free particle on a half-line. In each situation, we show that the mean values of the position, momentum and force, as functions of time, verify the Ehrenfest theorem (the state of the particle being a general wave packet that is a continuous superposition of the energy eigenstates for the Hamiltonian). However, the involved force is not the same in each case. In fact, we have the usual external classical force in the first case and a type of nonlocal boundary quantum force in the second case. In spite of these different forces, the corresponding mean values of these quantities give the same results. Accordingly, the Ehrenfest equations in the two situations are equivalent. We believe that a careful and clear consideration of how the two cases differ but, in the end, agree, is pertinent, and has not been included in the literature."

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arXiv:2101.06766•Revista Brasileira de Ensino de Física•Jan 1, 2021•2 citations
"We study the issues of average forces and the Ehrenfest theorem for a particle restricted to a semi-infinite interval by an impenetrable wall. We consider and discuss two specific cases: (i) a free particle in an infinite step potential, and (ii) a free particle on a half-line. In each situation, we show that the mean values of the position, momentum and force, as functions of time, verify the Ehrenfest theorem (the state of the particle being a general wave packet that is a continuous superposition of the energy eigenstates for the Hamiltonian). However, the involved force is not the same in each case. In fact, we have the usual external classical force in the first case and a type of nonlocal boundary quantum force in the second case. In spite of these different forces, the corresponding mean values of these quantities give the same results. Accordingly, the Ehrenfest equations in the two situations are equivalent. We believe that a careful and clear consideration of how the two cases differ but, in the end, agree, is pertinent, and has not been included in the literature."
Ehrenfest’s theorem states that as a quantum state evolves in time, the rate of change of the expectation value of momentum is equal to the expectation value of the force. In the familiar ‘‘particle-in-a-box,’’ however, the probability of finding the particle at a wall—the only place where forces act—is zero, so at first glance it appears that the expectation value of the force should vanish for any state, which would violate Ehrenfest‘s theorem. This argument is flawed, however, since the forces at the walls of the box are infinite. We consider the box as a limit of a very deep square well and confirm that Ehrenfest’s theorem emerges safe and sound.
The Schrodinger equation for a bound state includes the classical potential V(r) for which –d/dxj V represents Fj or force in the j direction. It has been argued in a previous note (1), that one may attribute physical meaning to the Fourier series of V(r). In such a case, V(r) and W(r) (the wavefunction) are quantities averaged over momentum (or vectors) as well as being averages over time. One may write the product of V(r)W(r) as one of two Fourier series and then reorganize into a series with basis exp(ikr). In such a case, one examines an interaction with V at each momentum wave level. Then the average is only over time as different k momentum states of in W combine with different p momentum states of the Fourier series of V(r). For a p momentum wave, one may write: p2/2m fp + Sum k Vk f(p-k) = E fp where W= Sum over p fp exp(ipx) in one dimension ((1)) The objective of this note is to observe differences in the interaction of a single plane wave with a potential ((1)) and the interaction of W with V in the Schrodinger equation. In particular, for a particle in a box with infinite walls, V(x)=0 inside the one dimensional box, yet the Fourier series of W includes all p values. From ((1)), even though V(x)=0 as an average, there seems to still be an interaction with various Vk values (Vk= the kth Fourier transform) in the interior of the box as ((1)) holds at all x points.
The temporal evolution of a wave packet ψ( x,t ) confined to an infinite square well (occupying the region 0 ≤ x ≤ L ), as manifested by fractional revivals of the probability density P ( x,t ) ≡ | ψ( x,t ) | 2 and the time-dependence of the expectation values of position, momentum and force ( X ( t ) ≡ ⟨ x ⟩ t , Π( t ) ≡ ⟨ ⟩ t and Φ( t ) ≡ ⟨ ⟩ t , respectively) are studied, using wave packets for which Π(0) = 0. In the region accessible to the wave packet (0 < x < L ), and the Hamiltonian Ĥ commute; still, is, in general, not a constant of the motion, and the three expectation values are all time-dependent, except when the initial packet has a definite parity, that is ψ( x ,0) = ±ψ( L - x , 0), which implies X ( t ) = L /2 and Π( t ) = 0 = Φ( t ). For a packet with no definite parity, Y ( t ) ≡ X ( t ) - L /2 stays, if the packet is sufficiently narrow at t = 0 close to zero nearly all the time, but executes large excursions in the neighbourhood of instants at which the probability density experiences a mirror revival or a revival. This behaviour, with no classical counterpart, can be understood by paying attention to the presence of infinite potential barriers (at x = 0 and x = L ) and taking account of the net force felt by an initially off-centred wave packet. It is shown that though plots (against time) of expectation values catch a glimpse of the revival structure of a wave packet, such plots fail to reveal some fractional revivals.
Most introductory books on quantum mechanics discuss the particle-in-a-box problem through solutions of the Schrödinger equation, at least, in the one-dimensional case. When introducing the virial theorem, however, its discussion in the context of this simple model is not considered and students ponder the question of the validity of the virial theorem for a system with, apparently, no forces. In this work, we address this issue by solving the particle in a finite box and show that the virial theorem is fulfilled when the appropriate Cauchy boundary conditions are taken into account. We also illustrate how, in the limit of the infinite potential box, the virial theorem holds as well. As a consequence, it is possible to determine the averaged force exerted by the walls on the particle. Finally, a discussion of these results in the classical limit is provided.
In the one-dimensional Klein-Fock-Gordon theory, the probability density is a discontinuous function at the point where the step potential is discontinuous. Thus, the mean value of the external classical force operator cannot be calculated from the corresponding formula of the mean value. To resolve this issue, we obtain this quantity directly from the Klein-Fock-Gordon equation in Hamiltonian form, or the Feshbach-Villars wave equation. Not without surprise, the result obtained is not proportional to the average of the discontinuity of the probability density but to the size of the discontinuity. In contrast, in the one-dimensional Schrödinger and Dirac theories this quantity is proportional to the value that the respective probability density takes at the point where the step potential is discontinuous. We examine these issues in detail in this paper. The presentation is suitable for the advanced undergraduate level.