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arXiv:1709.04984 · Physical review. E

Integral transforms of the quantum mechanical path integral: Hit function and path-averaged potential

James P. Edwards, Urs Gerber, Christian Schubert, María Anabel Trejo, Axel Weber

Published Apr 10, 2018• 8 citations
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Abstract

We introduce two integral transforms of the quantum mechanical transition kernel that represent physical information about the path integral. These transforms can be interpreted as probability distributions on particle trajectories measuring respectively the relative contribution to the path integral from paths crossing a given spatial point (the hit function) and the likelihood of values of the line integral of the potential along a path in the ensemble (the path-averaged potential).

DOI
10.1103/physreve.97.042114

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Quantum mechanics utilizes a wavefunction W(x)=Sum over p a(p)exp(ipx) (in time independent cases) with exp(ipx) being what we call a free particle complex probability. In such a case, W(x) is an OR scenario of these various probabilities. We have argued in previous notes that exp(ipx) is the probability for a p impulse hit at x, even if the center-of-mass of the particle is not at x. This means that impulse hits may occur probabilistically in space as in the 2-slit example which requires adding two probabilities as an OR case for each slit. The point then seems to be that W(x) (or even its momentum frozen form W*(x)W(x) gives a profile in space of the number of interactions (various p impulse hits) at each x. Classically, the kinetic energy (nonrelativistic) is pp/2m. In a classical bound problem this kinetic energy is considered to exist (in calculations) at the center-of-mass, but forces are also said to be rendered at this point so pp/2m, the center-of-mass and the force hit point all coincide. In quantum mechanics, a p impulse hit and the center-of-mass do not coincide. If p is said to hit at a probabilistic x, then it seems that pp/2m should also be seen to exist at this same hit point. A physical interaction point verifies in a sense the location of pp/2m in a probabilistic manner, i.e. a(p) exp(ipx)/W(x) is the probability used to calculate KEaverage and this is based on impulse hit locations. By normalizing using W(x), one removes the relative number of average hits at each x and obtains a pure energy value at x. (This may then be used in a KEave(x)+V(x)=E equation.) On average W(x) has zero points, which means that if one considers W*(x)W(x) to represent the motion-frozen-out spatial distribution of hits, then no hits are rendered at certain x points (on average). One might argue then that the particle cannot exist at x, but the center-of-mass can exist anywhere. One might next argue that there is no kinetic energy at x, but that cannot be true because 1/2m d/dx d/dx W has the same 0 points as W and the two divide. Thus, there is average kinetic energy at all bound points and this represents an average based on impulse hits (exp(ipx)). Classically, if one has many particles in a potential, one may write density(x)V(x) to find the potential energy of the particles. This implies that the particles interact with V(x), e.g. neutrinos usually do not interact. Density(x) in a classical sense means that the center-of-mass and force hit point are both at x. In quantum mechanics, exp(ipx) represents the probability for a force hit point, W(x) represents an average and W*(x)W(x) represents a motion-frozen average hit point. W*(x)W(x)V(x) seems to represent the average potential energy of the particle at x because W*(x)W(x) is linked with interaction. Even if a particle is not present, however, there is energy V(x) in space. It seems that if W*(x)W(x)=0 at some x, then there is no average particle interaction at this point, but there is still average kinetic energy Sum over p a(p)pp/2m exp(ipx) / W(x) based on the probability for average probability hits. The key idea is that one normalizes probability by dividing by W(x) in the average kinetic energy calculation. W*(x)W(x) is normalized not at x, but integrating over dx and setting this value to 1. One has relative hit at x values represented by W*(x)W(x). For exp(-ipx)exp(ipx)=1, each dx has the same average hit value (with one not being able to distinguish details in hbar/p, i.e. this is a motion frozen result. The question then becomes: Why would one write: W*(x)W(x) KEave(x)? One might argue that this term occurs if one takes the quantum mechanical equation: KEave(x) +V(x) = En and multiplies by W*(x)W(x). One may ask: Does V(x)W*(x)W(x) have physical meaning? V(x) is the potential energy at x. The average interaction probability with V(x) at x should be W(x)V(x) and not W*(x)W(x)V(x). The latter is a classical mechanical idealization. If W*(x)W(x) is 3 at x1 and 2 at x2, then it is as if the particle interacts 1.5 times more at x1 and so if V(x1)=V(x2), then this approach assumes 1.5 the interaction energy at x1. KEave(x), however, is simply free particle energy (average) at x and one does not need to take this average value and multiply it by the relative number of interactions at x. 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The aim of this chapter is to expand the concept of the path integral to quantum mechanics. The Wiener path integral which we considered in chapter 1 and the Feynman path integral in quantum mechanics have many common features. We essentially use this similarity in the first section of the present chapter reducing, in fact, some quantum-mechanical problems to consideration of the Bloch equation and the corresponding Wiener path integral.

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We introduce two integral transforms of the quantum mechanical transition kernel that represent physical information about the path integral. These transforms can be interpreted as probability distributions on particle trajectories measuring respectively the relative contribution to the path integral from paths crossing a given spatial point (the hit function) and the likelihood of values of the line integral of the potential along a path in the ensemble (the path-averaged potential).
We present the path-integral solutions to the distributions in classical (Gibbs) and quantum (Wigner) statistical mechanics. The kernel of the distributions are derived in two ways - one by time slicing and defining the appropriate short-time interval phase space matrix element and second by making use of the kernel in the path-integral approach to quantum mechanics. We show that the two approaches are perturbatively identical. We also present another computation for the Wigner kernel, which is also the Liouville kernel, for the harmonic oscillator and free particle. These kernels may be used as the starting point in the perturbative expansion of the Wigner kernel for any potential. With the kernel solved, we essentially solve also the distributions in classical and quantum statistical mechanics.
To introduce the formalism of the functional integral in quantum mechanics, this chapter starts from the definition of the temporal evolution operator. It is important to emphasize that in the classical limit is not only the classic trajectory that have the grater contribution, but all the paths close to this also contribute. The chapter shows how integral formulation is perfectly consistent with Schrödinger's time-dependent differential equation. It retrieves this equation from definition of transition amplitude as a path integral. The chapter discusses functional derivative generalized to the case of the ordinary functional derivative. A very useful tool to solve problems related to functional integrals is the Wick rotation or Euclidean rotation. In quantum mechanics there are few problems we can solve exactly, and very often, when possible, we use perturbation theory to find an approximate solution. The chapter follows this approach with formalism of functional integration and construct a perturbation theory from which can be obtained a physical interpretation.
Quantum mechanics utilizes a wavefunction W(x)=Sum over p a(p)exp(ipx) (in time independent cases) with exp(ipx) being what we call a free particle complex probability. In such a case, W(x) is an OR scenario of these various probabilities. We have argued in previous notes that exp(ipx) is the probability for a p impulse hit at x, even if the center-of-mass of the particle is not at x. This means that impulse hits may occur probabilistically in space as in the 2-slit example which requires adding two probabilities as an OR case for each slit. The point then seems to be that W(x) (or even its momentum frozen form W*(x)W(x) gives a profile in space of the number of interactions (various p impulse hits) at each x. Classically, the kinetic energy (nonrelativistic) is pp/2m. In a classical bound problem this kinetic energy is considered to exist (in calculations) at the center-of-mass, but forces are also said to be rendered at this point so pp/2m, the center-of-mass and the force hit point all coincide. In quantum mechanics, a p impulse hit and the center-of-mass do not coincide. If p is said to hit at a probabilistic x, then it seems that pp/2m should also be seen to exist at this same hit point. A physical interaction point verifies in a sense the location of pp/2m in a probabilistic manner, i.e. a(p) exp(ipx)/W(x) is the probability used to calculate KEaverage and this is based on impulse hit locations. By normalizing using W(x), one removes the relative number of average hits at each x and obtains a pure energy value at x. (This may then be used in a KEave(x)+V(x)=E equation.) On average W(x) has zero points, which means that if one considers W*(x)W(x) to represent the motion-frozen-out spatial distribution of hits, then no hits are rendered at certain x points (on average). One might argue then that the particle cannot exist at x, but the center-of-mass can exist anywhere. One might next argue that there is no kinetic energy at x, but that cannot be true because 1/2m d/dx d/dx W has the same 0 points as W and the two divide. Thus, there is average kinetic energy at all bound points and this represents an average based on impulse hits (exp(ipx)). Classically, if one has many particles in a potential, one may write density(x)V(x) to find the potential energy of the particles. This implies that the particles interact with V(x), e.g. neutrinos usually do not interact. Density(x) in a classical sense means that the center-of-mass and force hit point are both at x. In quantum mechanics, exp(ipx) represents the probability for a force hit point, W(x) represents an average and W*(x)W(x) represents a motion-frozen average hit point. W*(x)W(x)V(x) seems to represent the average potential energy of the particle at x because W*(x)W(x) is linked with interaction. Even if a particle is not present, however, there is energy V(x) in space. It seems that if W*(x)W(x)=0 at some x, then there is no average particle interaction at this point, but there is still average kinetic energy Sum over p a(p)pp/2m exp(ipx) / W(x) based on the probability for average probability hits. The key idea is that one normalizes probability by dividing by W(x) in the average kinetic energy calculation. W*(x)W(x) is normalized not at x, but integrating over dx and setting this value to 1. One has relative hit at x values represented by W*(x)W(x). For exp(-ipx)exp(ipx)=1, each dx has the same average hit value (with one not being able to distinguish details in hbar/p, i.e. this is a motion frozen result. The question then becomes: Why would one write: W*(x)W(x) KEave(x)? One might argue that this term occurs if one takes the quantum mechanical equation: KEave(x) +V(x) = En and multiplies by W*(x)W(x). One may ask: Does V(x)W*(x)W(x) have physical meaning? V(x) is the potential energy at x. The average interaction probability with V(x) at x should be W(x)V(x) and not W*(x)W(x)V(x). The latter is a classical mechanical idealization. If W*(x)W(x) is 3 at x1 and 2 at x2, then it is as if the particle interacts 1.5 times more at x1 and so if V(x1)=V(x2), then this approach assumes 1.5 the interaction energy at x1. KEave(x), however, is simply free particle energy (average) at x and one does not need to take this average value and multiply it by the relative number of interactions at x. W(x) has zero points meaning that there is no interaction at such a point on average. KEave(x) on the other hand is the average energy at x based on the particle kinetic energy presence pp/2m being at the point of an impulse hit. This does not mean that an interaction is occurring with V(x) at this point in this formalism. Even a free particle has an exp(ipx) probability when it is not interacting. The sum Sum over p a(p)exp(ipx) means that all of the interactions linked with x have occurred and one is making an OR calculation. KEave(x) is free particle kinetic energy at x and V(x) is potential energy (not interaction potential energy with the particle). Multiplying by W*(x)W(x) is a classical minded approach to creating a classical equation: density(x) (KEave(x)+V(x)) = E density(x) ((1)) Here KEave(x) would represent the average kinetic energy of a single particle and density(x) would be the average number of particles at x. density(x)KE(x) has a clear meaning. W*(x)W(x) KEave(x) on the other hand is different. KEave(x) is actually the classical kinetic energy value at x and so it is not clear why one would multiply it by W*(x)W(x). W*(x)W(x) represents the probability for an impulse hit at x in a p-frozen out picture. The notion of exp(ipx) (i.e. probability for a p hit at x) is already buried within the quantum calculation of KEave(x) (which yields the classical value). In order to find the physical meaning of W*(x)W(x) multiplied by KEave(x) or V(x) it seems that one has broken dx into equally sized segments which correspond to different detection hits of the particle. This is then somehow equated with the presence of the particle per unit time in dx which is then somehow rendered as the average energy at x multiplied by the detected presence at x through a steady rate of measurement/time. Thus, multiplying by W*(x)W(x) is not multiplying by a physical density.
Path integrals are mathematical objects that can be considered as generalizations to an infinite number of variables, represented by paths, of usual integrals. They share the algebraic properties of usual integrals, but have new properties from the viewpoint of analysis. They are powerful tools for the study of quantum mechanics, since they emphasize very explicitly the correspondence between classical and quantum mechanics. Physical quantities are expressed as averages over all possible paths but, in the semi-classical limit, the leading contributions come from paths close to classical paths. Thus, path integrals lead to an intuitive understanding of physical quantities in the semi-classical limit, as well as simple calculations of such quantities. This observation can be illustrated with scattering processes, spectral properties, or barrier penetration effects. Even though the formulation of quantum mechanics based on path integrals seems mathematically more complicated than the usual formulation based on partial differential equations, the path integral formulation is well adapted to systems with many degrees of freedom, where a formalism of Schrödinger type is much less useful. It allows simple construction of a many-body theory both for bosons and fermions.
In classical physics, a particle traveling to the right is the mirror image of one traveling to the left. In terms of a spatial density (the time spent in each constant dx), the value is the same, as is the energy. A similar notion of such a spatial invariance is in the classical conservation of energy equation for a bound particle: p(x)p(x)/2m + V(x) = E. Quantum mechanics seems to be different because exp(ipx) and exp(-ipx) are distinctly different spatial probabilities, i.e. they are dynamic. It is not just that case that a particle moves to the right for exp(ipx) and to the left for exp(-ipx). The impulse hit probabilities (represented by exp(ipx) and exp(-ipx)) are distinctly different. If one wishes to create an OR situation and write: W(x) = Sum over p a(p)exp(ipx) and use this in a conservation of energy equation, then simply including only positive or negative p values in W(x) leads to a complex average kinetic energy -1/2m d/dx dW/dx / W which cannot be used with V(x) and E. Furthermore, W_ (only negative p) and W+ (only positive p) values do not yield the same average kinetic energy. Fortunately, given that this is a statistical average for a localized object (somewhat analogous to a gas), one may combine W+ + W- and obtain a real kinetic energy. We have argued in previous notes that there exists a quantum-classical duality. For example, for a free particle one has two independent notions. One is x=vt which describes the center-of-mass of the particle. We take this to represent a state description which treats v and -v as mirror images. exp(ipx), on the other hand, represents probabilistic impulse hits and does not define the state by itself, we argue, only its interactions. Interactions are physical and define what happens in an interacting system. One may, however, measure a system, i.e interact with exp(ipx), and this should define a measurement state ( a second state ensemble average). For example, exp(ipx)exp(-ipx) = 1 which is equivalent to the constant dt in each dx associated with x=vt. Thus, the two states coincide, but exp(ipx)exp(-ipx) means that one may place the 2-slit apparatus at any x point and is not about the center-of-mass, as x=vt is. In some cases, the two states are quite different. W*(x)W(x) represents an interaction state, but vrms(x) from .5mvrms(x)vrms(x) = -1/2m d/dx dW/dx / W represents a center-of-mass state description. (Note: in these cases a state means an average state, i.e. an average over many ensemble entries.) If one takes W*(x)W(x) and integrates over x, then interference terms vanish and one obtains a classical counting of distinct p value states with their weight a*(p)a(p).This, we argue, leads to the notion of orthogonality of probabilities. In classical probability, there is no such notion, but there is the notion of AND (multiply) probabilities. Given exp(ipx) and exp(-ipx), if one multiplies one removes p, i.e. the interactions and only sees the state left. W*(x)W(x) yields a set of peaks which represent a pattern of probabilistic hits in space which define a state which one would measure in space. The interference pattern, however, must be one such that if one integrates over x, one only obtains a classical sum of probabilities a*(p)a(p)’s as mentioned above. This leads to the notion of orthogonal exp(ipx)’s (which follows mathematically anyway). If one considers different bound En states, then these two are orthogonal because W*n1(x)Wn2(x) mean n1 and n2 are associated with different energies and integrating over x cannot show a result which looks like a state result, where W*n(x)Wn(x) shows a state result. In order to achieve this orthogonality (linked directly to the notion of a state) one must have that Wn(2) usually has 0 points and is positive and negative with the possible exception of a ground state. In other words, if Wn1*(x)Wn2(x) integrated over x is not 0, one violates conservation of energy. As a result, we argue an average probability for a bound state must statistically include +p and -p contributions and must create a function which has positive and negative peaks (except possibly for the ground state), i.e. W(x) must have 0 points. This W(x) is linked to a measurement state W*(x)W(x), but this is strictly considering exp(ipx)s. We argue that there are two pieces of information for a free particle, x=vt and exp(ipx). There must also be an average state linked to x=vt and this given by KEave(x) = .5m vrms(x)vrms(x) + V(x) = E which shows that the particle may exist and have average kinetic energy even at W(x)=0 points. When measuring a system, one interacts with the exp(ipx)s and so the W*(x)W(x) state is the one which is traditionally presented, but whether one measures the center-of-mass motion or not, one also has the notion of the x=vt, i.e. vrms(x) state (average) as well, we argue.