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Relationship Between Entropy and Energy Densities in Quantum Mechanics

Francesco R. Ruggeri

Published Sep 4, 2020• 0 citations
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Abstract

In classical statistical mechanics, C exp[ -( mv*v/2 + V(x))/T) represents density i.e. the probability for a particle to have a velocity v and be at x. If applies this probability to Shannon’s entropy formula, one obtains C/T ( mv*v/2 + V(x)) exp[ -( mv*v/2 + V(x))/T) + exp[ -( mv*v/2 + V(x))/T) ln(C). Thus, it seems energy times density + density times ln(C) is the entropy density, a well known result in classical statistical mechanics, although sometimes not explicitly stated. The first term integrated over x is essentially the kinetic energy, while the second integrated over velocity yields the potential energy term. Thus, the first term partial density seems to be a purely momentum dependent kinetic energy piece times probability and the second a purely x dependent potential energy piece. (There is still an integral over velocity for the first term and one over x for the second to obtain the full entropy.) In quantum mechanics, we argue that a(p1)exp(ip1 x) a(p2) exp(ip2 x) serves as the probability where W(x)=Sum over p a(p) exp(ipx) = wavefunction. This leads to an expression for entropy density with two terms, one of which may be immediately integrated over momentum and the other over space. If one wishes to make a link to the classical statistical mechanical case, one may ask what requirement is necessary for the momentum related piece to represent average kinetic energy and the spatial part, average potential energy. The requirement, we find, yields the wavefunction of the ground state harmonic oscillator. For other cases, the partial density is not equivalent to average energy. Thus, we try to establish a link between entropy density and energy density, but require the kinetic energy related term to be strictly a function of momentum and the potential related term strictly one of x. In quantum mechanics, one may form averages at a point x. For example, KEave(x)= [Sum over p p*p/2m a(p) exp(ipx)]/W(x). If one examines a p/-p pair with a(p)=a(-p) (for example), cos(px) terms arise which are positive at some x and negative at others. We argued in previous notes that this represents stochastic flow in the opposite direction from that expected by -dV/dx. In other words, -dV/dx is an average which consists of stochastic force addends which may give momentum hits to the right or left, but which add to yield -dV/dx. As a result, one may have negative contributions to the kinetic energy (and density as well). In this note, we argue one may also have negative contributions to the entropy density due to this phenomenon.

DOI
10.5281/zenodo.4015378

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Conditional Quantum Probability P(p/x) and Entropic Dynamics

Francesco R. Ruggeri

In previous notes, we suggested that quantum bound states may be analysed in terms of the conditional probability P(p/x)= a(p)exp(ipx)/W(x) (where W(x) is the wavefunction) which allows for the calculation of average kinetic energy at each point x i.e. [Sum over p pp/2m P(p/x)]/ W(x). This added to V(x) yields E (average energy) at each x and yields the time-independent Schrodinger equation). We argued that probability is handled at the level of W(x)=Sum over p a(p) exp(ipx). Measurements (even internal) may knock a particle from one p1 state to another so another set of probabilities (P(x) and P(p)) arise, P(x) being based on: a(p1)exp(i p1x) exp(i p2x). Averages of f(p,x) follow from P(x) f(p,x) P(p/x). Thus, there are two sets of probabilities in quantum mechanics. Entropic dynamics (1) appears to begin with the probability P(x) and considers a transition probability P(x1 |x) with x1-x= an infinitesimal quantity. A product of transition probabilities is then taken to allow for finite x1-x differences. It is stated in (1) that there exists information about x but not p. The maximization of entropy density may be used to determine the form of P(x1 | x). A “drift velocity” is also included (which is later shown to be related to the phase of the wavefunction). Ultimately, the Schrodinger equation is also obtained. We argue one may use P(p/x) to also calculate P(x1 | x) and compare this result with that obtained through the maximization of entropy density. A type of drift velocity appears naturally in this approach. We argue that the form a(p)exp(ipx) already incorporates statistical ideas (i.e. maximum entropy) in that the modulus of exp(ipx) is identical for all x, endowing all x points with a “kind” of equivalent status. exp(ipx) is a function of p and x because one must calculate average kinetic energy at each x and this must change with x i.e. KEave(x) + V(x) = E. Thus, we think there are strong similarities between entropic dynamics and the approach of using P(p/x). There are also some differences in that the coefficient A of delta(x)delta(x) in P(x1 | x) = 1/Z exp{ A delta(x)delta(x) + B d Phi/dx delta(x)} is treated as independent of x in entropic dynamics, but is a specific function of x (related to d ln(W)/dx d ln(W)/dx + 1/W d/dx d/dx W) in the P(p/x) approach.

•Nov 14, 2020•0 citations

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Francesco R. Ruggeri

The notion of entropy originates historically in classical physics and is intertwined with thermodynamics. Shannon’s entropy: - Sum over i P(i) ln(P(i)), where P(i) is the probability for i, however, seems to apply to any probability, but in quantum mechanics appears to be particularly linked to spatial and momentum entropy (1) i.e. - Integral dx W*(x)W(x) ln[ W*(x)W(x)] and - Sum over p a*(p)a(p) ln[ a*(p)a(p) ] where W(x)= wavefunction = Sum over p a(p) exp(ipx). In this note we speculate that one may create an entropy from the real part of exp(ipx) i.e. cos(px) as this term is associated with probability within a wavelength even though the “center of mass” of the particle may be moving uniformly at v=x/t=constant and W*(x)W(x)=1 or a constant. The latter implies an entropy independent of p but there is uncertainty in a free particle due to its wavelength which is experimentally manifested. We argue there is no reason to limit entropy to x or p considerations. For a bound state, a pattern of crests and troughs of different lengths and heights may be produced and so again there is a pattern of unnormalized probability distributions with different weights. The absolute value may be taken so negative wavefunction values are not an issue. For both the free particle and the bound state two features emerge. First the shape of the distributions is linked to the curvature which in turn is associated with the kinetic energy. Thus the probability distributions which describe the quantum system are governed by kinetic energy. Secondly, a pattern of distributions, both negative and positive, ensures that exp(ipx) is perpendicular to other exp(ip1 x) functions and Wn(x) is perpendicular to other Wn1(x)’s. In other words energy identifies the statistical state which exists throughout space and one cannot confuse the identity of one state with another. Thus they are orthogonal throughout space and probability distributions (linked to entropy) seem to enforce this. The inner product of W*(x) and W(x) is like an inner product of a product probability of a state and its time reversed state. We suggest one should be able to define a Shannon’s entropy expression for both |cos(px)|/C1 from exp(ipx) over a half wavelength where C1 is a normalization factor and |W(x)|/C2 roughly over the length over which it has humps i.e. roughly the classical turning points for an oscillator for example. This entropy is not additive and does not map to classical entropy in the large n (energy level) limit. Furthermore it may not be linked to thermodynamics because it is not linked to x or p. Nevertheless, it might be used to describe uncertainty within the quantity system and equilibrium/stable scenarios which are observed in nature. For example, different Wn(x) states are statistically stable states, but one may knock out the particle and it will be in an exp(ipx) state which is also stable. Furthermore, a photon may excite Wn1(x) to Wn2(x), thus this new entropy seems to be linked to stable states allowed in nature. The “price to pay”, however, seems to be uncertainty in wavelength regions for a free particle and the crest/trough regions for a bound state. We also consider some properties of a similar entropy for bound states.

•Sep 23, 2022•0 citations

Quantum Bound and Classical Statistical Interactions and a Constant "Energy" in Space

Francesco R. Ruggeri

Both quantum bound state equilibrium and classical statistical mechanical equilibrium are characterized by d/dt partial density(x,t)=0. For a quantum particle, W(x,t)=exp(-iEt)W(x) and d(x,t)=W*W. Density is linked to fluid flow and arguments of pressure balance such that the overall average fluid flow is zero are made. This pressure-force balance is common in classical statistical mechanics and used to calculate the variation of density with x i.e. obtain a differential equation with d d(x,t) /dt partial. A similar balance equation is used in (1) as the authors try to derive the Schrodinger equation using a fluid dynamical approach. In this note, we try to argue that one may think of the two equilibria in terms of an energy quantity which remains constant throughout space. This energy quantity depends directly on the type of interactions in the system at any point x. For a classical ideal gas, balanced two body time reversal scattering represents the interaction. V(x), a potential, does not change this fundamental manner of interacting at any given point, although it does affect density. As a result the energy related constant at each x is T, related to average kinetic energy. We argue that this already points to the dominant type of interaction creating the statistical interaction i.e. one that depends only on p in interactions which conserve kinetic energy. This “happens” to be equivalent to maximizing Shannon’s entropy, but we argue this is particular to this scenario in the sense that not all interacting systems will have this equivalence. In other words, we argue that one must be careful with regards to the maximization of entropy as a fundamental rule. In particular, we consider the single particle bound quantum state. The interaction exists between the particle and the potential V(x), but one may consider a distribution of free particle momentum probabilities i.e W(x)=wavefunction = Sum over p a(p)exp(ipx). The form exp(ipx) comes from separate arguments as is discussed in the note, but the point is that there are no two body scattering reactions occurring at a given x, neither is there acceleration from on x to another (except for a vrms mathematical quantity). Nevertheless the “free particle” exp(ipx) interacts at each x with V(x). As a result of this interaction, one has free particles exp(ipx) which are no longer associated with pp/2m, but rather with an Eave which is a constant for every p. In other words the identity of exp(ipx) is unusual because it is linked to exp(ipx) and pp/2m, but also to Vk1 a(p-k1), Vk2 a(p-k2) etc where V(x)=Sum over k Vk exp(ikx). Thus each x point is associated with a constant Eave and this defines the equilibrium. (It is also equivalent to conservation of energy at each x.) In such a case, one does not maximize entropy to find a(p) values. In the two cases, the common point seems to be considering the interactions at each x and finding a constant “energy” type quantity which does not vary with x. This we argue appears to define equilibrium for both the classical statistical and quantum bound states. Instead of considering density which does not change in time at each x, there is constant energy which not only does not change in time, but has a constant value at each x which seems to be an alternative rule.

•Feb 14, 2022•0 citations

Quantum Spatial Density as an Independent Probability in Shannon's Entropy?

Francesco R. Ruggeri

In the literature, one often finds a quantum expression for Shannon’s entropy of the form: - (W*W) ln(W*W) ((1)) where W*W is spatial density i.e. W(x)= the wavefunction. This implies W*(x)W(x) is an independent probability. Given that W(x)= Sum over p a(p) exp(ipx), and W*W= Sum over p1, p2 a(p1)a(p2) exp(ip1 x) exp(ip2 x), one may see that for p1/-p1 in the latter with a(p)=a(-p) leads to cos(p1x) terms. These are positive and negative in different x regions. In fact, in many cases, the overall spatial density exhibits peaks and valleys suggesting that W*(x)W(x) is correlated, i.e. not independent we argue. Furthermore, the form ((1)) uses only position when there is an expectation value for < p*p> an , both functions of x, where p is momentum. Thus, the variance of p-ensemble average may change with x, yet position only is used in the computation of Shannon’s entropy, which we argue seems unusual. In a previous note (1), we suggest using a(1)exp(ip1 x) a(p2)exp(ip2 x) as the probability for Shannon’s entropy. This leads to a spatial form 2W x d/dx W which matches ((1)) for the ground state of the quantum oscillator case. For the ground state oscillator, W*W=C exp(-ax*x) i.e. a Gaussian. This suggests that for this case only, W*(x)W(x) represents an independent probability which may be used in Shannon’s entropy, we argue. We attempt to consider these issues in this note.

•Sep 8, 2020•0 citations

Operator Entropy and Quantum Thermodynamics

Francesco R. Ruggeri

The von Neumann entropy definition is -Tr ( d ln(d)) and is linked to: = Tr (d A) ((1)). Here d is a matrix as is A i.e Aij = . As a result d is often not diagonal. It seems further that the idea of entropy is linked to an operator (2). In other words, one might have certain probabilities linked to the operator P momentum and a different set to X. For a diagonal d, von Neumann’s form is the same as Shannon’s entropy, but uses the eigenvalues of d. For a pure quantum bound state Wn(x), it seems that one considers the two operators X and P and writes two entropies using Shannon’s entropy form: - Integral dx W(x)W(x) ln(WW) and -Integral dp a(p)a(p) ln(a(p)a(p)) where W(x)=wavefunction= Sum over p a(p)exp(ipx). Here P(x)=W(x)W(x) and P(p)=a(p)a(p). For example in (3), one may see calculations of these “distinct” entropies for a particle in a box with infinite potential walls. X and P are linked to measurables and for a quantum bound system one cannot know exactly x and p at the same time. One may write < KE > for a bound state in two ways: Integral dp a(p)a(p) pp/2m or Integral dx W(x) (-1/2m d/dx dW/dx). Using Shannon’s entropy approach one obtains two different entropy values Sx and Sp. With respect to von Neumann’s entropy, it is zero for a pure state. Although one cannot know x and p at the same time (in terms of a measurement) that does not prevent one from writing x and p together (i.e. both known) in exp(ipx) for the wavefunction of a free particle. In this note we suggest that one might consider product probabilities linked to more than one operator when considering entropy. For example, for <KE> one may write Integral dx P(x) Integral dp pp/2m P(p/x) thus acknowledging that both x and p play a role. In this case, P(x)P(p/x) is the probability to use in Shannon’s entropy as we have shown in (4). In (3) it is suggested that P(x)P(p/x) be used in order to incorporate both variables x and p. Using P(x)P(p) in Shannon’s entropy yields the same overall entropy when integrated over x and p i.e. S=Sx+Sp. One reason that the sum is useful is that it eliminates parameters such as L (box length) for a particle in a box with infinite walls (or k the spring constant for an oscillator. This allows for a quantum adiabatic transformation of a pure state to be isentropic. This follows from a Fourier transformation i.e. W(x)=Sum over p a(p)exp(ipx). The two variables p and x scale with L in the opposite manner i.e. x/L and pL (5). Thus we argue that entropy is not necessarily linked to only one operator, but rather for a pure state is linked to variables which appear in a Fourier transform. Usually a Fourier transform is simply a mathematical procedure, but not in the case of the quantum pure state wavefunction where the variable p is actually momentum. In this note we try to investigate how the quantum relationship between p and x emerges. We argue that it exists at the level of the classical action for a free particle (relativistic or nonrelativistic) A=-Et+px where dA/dx partial =p and dA/dt partial = -E. Thus p and x are variable pairs in classical dynamics and this carries over to classical statistical phase space linked to p and x. We argue that a quantum dynamical link between p and x is also present in A i.e. -id/dx exp(iA) = p exp(iA). In other words p and x are linked dynamically in quantum mechanics as well (for a free particle) with exp(-iEt+ipx) being part of this link. The Fourier series form is already present in this solution as one may create a momentum distribution i.e. Sum over p a(p)exp(ipx). This depends on p and x and both affect any operator based on p and x (or one of these). Thus we expect that probabilities linked to both p and x should appear in an expression of entropy for a quantum bound state.

•Feb 28, 2022•0 citations

Spatial Quantum Entropy

Francesco R. Ruggeri

In the literature, Shannon’s entropy with spatial density as probability i.e. density(x) ln(density(x)) appears frequently. It seems, however, that this calculation of entropy assumes no knowledge of momentum, yet density=W(x)W(x) (for a bound state) where W(x) = Sum over p a(p) exp(ipx). In other words, the wavefunction W(x) contains information about the momentum distribution associated with P(p/x)= a(p) exp(ipx)/W(x). In classical statistical mechanics, entropy is calculated using exp[ - (p*p/2m + V(x))/T) which includes both momentum and spatial considerations. In a previous note (1), we calculated a possible expression for entropy using P(p/x)P(x). This includes Shannon’s spatial entropy and other terms even if one sums over p after forming Shannon’s entropy with P(p/x)P(x). In this note, we try to consider the interpretation of these two forms of entropy.

•Jul 30, 2020•0 citations
In classical statistical mechanics, C exp[ -( mvv/2 + V(x))/T) represents density i.e. the probability for a particle to have a velocity v and be at x. If applies this probability to Shannon’s entropy formula, one obtains C/T ( mvv/2 + V(x)) exp[ -( mvv/2 + V(x))/T) + exp[ -( mvv/2 + V(x))/T) ln(C). Thus, it seems energy times density + density times ln(C) is the entropy density, a well known result in classical statistical mechanics, although sometimes not explicitly stated. The first term integrated over x is essentially the kinetic energy, while the second integrated over velocity yields the potential energy term. Thus, the first term partial density seems to be a purely momentum dependent kinetic energy piece times probability and the second a purely x dependent potential energy piece. (There is still an integral over velocity for the first term and one over x for the second to obtain the full entropy.) In quantum mechanics, we argue that a(p1)exp(ip1 x) a(p2) exp(ip2 x) serves as the probability where W(x)=Sum over p a(p) exp(ipx) = wavefunction. This leads to an expression for entropy density with two terms, one of which may be immediately integrated over momentum and the other over space. If one wishes to make a link to the classical statistical mechanical case, one may ask what requirement is necessary for the momentum related piece to represent average kinetic energy and the spatial part, average potential energy. The requirement, we find, yields the wavefunction of the ground state harmonic oscillator. For other cases, the partial density is not equivalent to average energy. Thus, we try to establish a link between entropy density and energy density, but require the kinetic energy related term to be strictly a function of momentum and the potential related term strictly one of x. In quantum mechanics, one may form averages at a point x. For example, KEave(x)= [Sum over p p*p/2m a(p) exp(ipx)]/W(x). If one examines a p/-p pair with a(p)=a(-p) (for example), cos(px) terms arise which are positive at some x and negative at others. We argued in previous notes that this represents stochastic flow in the opposite direction from that expected by -dV/dx. In other words, -dV/dx is an average which consists of stochastic force addends which may give momentum hits to the right or left, but which add to yield -dV/dx. As a result, one may have negative contributions to the kinetic energy (and density as well). In this note, we argue one may also have negative contributions to the entropy density due to this phenomenon.
In previous notes, we suggested that quantum bound states may be analysed in terms of the conditional probability P(p/x)= a(p)exp(ipx)/W(x) (where W(x) is the wavefunction) which allows for the calculation of average kinetic energy at each point x i.e. [Sum over p pp/2m P(p/x)]/ W(x). This added to V(x) yields E (average energy) at each x and yields the time-independent Schrodinger equation). We argued that probability is handled at the level of W(x)=Sum over p a(p) exp(ipx). Measurements (even internal) may knock a particle from one p1 state to another so another set of probabilities (P(x) and P(p)) arise, P(x) being based on: a(p1)exp(i p1x) exp(i p2x). Averages of f(p,x) follow from P(x) f(p,x) P(p/x). Thus, there are two sets of probabilities in quantum mechanics. Entropic dynamics (1) appears to begin with the probability P(x) and considers a transition probability P(x1 |x) with x1-x= an infinitesimal quantity. A product of transition probabilities is then taken to allow for finite x1-x differences. It is stated in (1) that there exists information about x but not p. The maximization of entropy density may be used to determine the form of P(x1 | x). A “drift velocity” is also included (which is later shown to be related to the phase of the wavefunction). Ultimately, the Schrodinger equation is also obtained. We argue one may use P(p/x) to also calculate P(x1 | x) and compare this result with that obtained through the maximization of entropy density. A type of drift velocity appears naturally in this approach. We argue that the form a(p)exp(ipx) already incorporates statistical ideas (i.e. maximum entropy) in that the modulus of exp(ipx) is identical for all x, endowing all x points with a “kind” of equivalent status. exp(ipx) is a function of p and x because one must calculate average kinetic energy at each x and this must change with x i.e. KEave(x) + V(x) = E. Thus, we think there are strong similarities between entropic dynamics and the approach of using P(p/x). There are also some differences in that the coefficient A of delta(x)delta(x) in P(x1 | x) = 1/Z exp{ A delta(x)delta(x) + B d Phi/dx delta(x)} is treated as independent of x in entropic dynamics, but is a specific function of x (related to d ln(W)/dx d ln(W)/dx + 1/W d/dx d/dx W) in the P(p/x) approach.
The notion of entropy originates historically in classical physics and is intertwined with thermodynamics. Shannon’s entropy: - Sum over i P(i) ln(P(i)), where P(i) is the probability for i, however, seems to apply to any probability, but in quantum mechanics appears to be particularly linked to spatial and momentum entropy (1) i.e. - Integral dx W*(x)W(x) ln[ W*(x)W(x)] and - Sum over p a*(p)a(p) ln[ a*(p)a(p) ] where W(x)= wavefunction = Sum over p a(p) exp(ipx). In this note we speculate that one may create an entropy from the real part of exp(ipx) i.e. cos(px) as this term is associated with probability within a wavelength even though the “center of mass” of the particle may be moving uniformly at v=x/t=constant and W*(x)W(x)=1 or a constant. The latter implies an entropy independent of p but there is uncertainty in a free particle due to its wavelength which is experimentally manifested. We argue there is no reason to limit entropy to x or p considerations. For a bound state, a pattern of crests and troughs of different lengths and heights may be produced and so again there is a pattern of unnormalized probability distributions with different weights. The absolute value may be taken so negative wavefunction values are not an issue. For both the free particle and the bound state two features emerge. First the shape of the distributions is linked to the curvature which in turn is associated with the kinetic energy. Thus the probability distributions which describe the quantum system are governed by kinetic energy. Secondly, a pattern of distributions, both negative and positive, ensures that exp(ipx) is perpendicular to other exp(ip1 x) functions and Wn(x) is perpendicular to other Wn1(x)’s. In other words energy identifies the statistical state which exists throughout space and one cannot confuse the identity of one state with another. Thus they are orthogonal throughout space and probability distributions (linked to entropy) seem to enforce this. The inner product of W*(x) and W(x) is like an inner product of a product probability of a state and its time reversed state. We suggest one should be able to define a Shannon’s entropy expression for both |cos(px)|/C1 from exp(ipx) over a half wavelength where C1 is a normalization factor and |W(x)|/C2 roughly over the length over which it has humps i.e. roughly the classical turning points for an oscillator for example. This entropy is not additive and does not map to classical entropy in the large n (energy level) limit. Furthermore it may not be linked to thermodynamics because it is not linked to x or p. Nevertheless, it might be used to describe uncertainty within the quantity system and equilibrium/stable scenarios which are observed in nature. For example, different Wn(x) states are statistically stable states, but one may knock out the particle and it will be in an exp(ipx) state which is also stable. Furthermore, a photon may excite Wn1(x) to Wn2(x), thus this new entropy seems to be linked to stable states allowed in nature. The “price to pay”, however, seems to be uncertainty in wavelength regions for a free particle and the crest/trough regions for a bound state. We also consider some properties of a similar entropy for bound states.
Both quantum bound state equilibrium and classical statistical mechanical equilibrium are characterized by d/dt partial density(x,t)=0. For a quantum particle, W(x,t)=exp(-iEt)W(x) and d(x,t)=W*W. Density is linked to fluid flow and arguments of pressure balance such that the overall average fluid flow is zero are made. This pressure-force balance is common in classical statistical mechanics and used to calculate the variation of density with x i.e. obtain a differential equation with d d(x,t) /dt partial. A similar balance equation is used in (1) as the authors try to derive the Schrodinger equation using a fluid dynamical approach. In this note, we try to argue that one may think of the two equilibria in terms of an energy quantity which remains constant throughout space. This energy quantity depends directly on the type of interactions in the system at any point x. For a classical ideal gas, balanced two body time reversal scattering represents the interaction. V(x), a potential, does not change this fundamental manner of interacting at any given point, although it does affect density. As a result the energy related constant at each x is T, related to average kinetic energy. We argue that this already points to the dominant type of interaction creating the statistical interaction i.e. one that depends only on p in interactions which conserve kinetic energy. This “happens” to be equivalent to maximizing Shannon’s entropy, but we argue this is particular to this scenario in the sense that not all interacting systems will have this equivalence. In other words, we argue that one must be careful with regards to the maximization of entropy as a fundamental rule. In particular, we consider the single particle bound quantum state. The interaction exists between the particle and the potential V(x), but one may consider a distribution of free particle momentum probabilities i.e W(x)=wavefunction = Sum over p a(p)exp(ipx). The form exp(ipx) comes from separate arguments as is discussed in the note, but the point is that there are no two body scattering reactions occurring at a given x, neither is there acceleration from on x to another (except for a vrms mathematical quantity). Nevertheless the “free particle” exp(ipx) interacts at each x with V(x). As a result of this interaction, one has free particles exp(ipx) which are no longer associated with pp/2m, but rather with an Eave which is a constant for every p. In other words the identity of exp(ipx) is unusual because it is linked to exp(ipx) and pp/2m, but also to Vk1 a(p-k1), Vk2 a(p-k2) etc where V(x)=Sum over k Vk exp(ikx). Thus each x point is associated with a constant Eave and this defines the equilibrium. (It is also equivalent to conservation of energy at each x.) In such a case, one does not maximize entropy to find a(p) values. In the two cases, the common point seems to be considering the interactions at each x and finding a constant “energy” type quantity which does not vary with x. This we argue appears to define equilibrium for both the classical statistical and quantum bound states. Instead of considering density which does not change in time at each x, there is constant energy which not only does not change in time, but has a constant value at each x which seems to be an alternative rule.
In the literature, one often finds a quantum expression for Shannon’s entropy of the form: - (W*W) ln(W*W) ((1)) where W*W is spatial density i.e. W(x)= the wavefunction. This implies W*(x)W(x) is an independent probability. Given that W(x)= Sum over p a(p) exp(ipx), and W*W= Sum over p1, p2 a(p1)a(p2) exp(ip1 x) exp(ip2 x), one may see that for p1/-p1 in the latter with a(p)=a(-p) leads to cos(p1x) terms. These are positive and negative in different x regions. In fact, in many cases, the overall spatial density exhibits peaks and valleys suggesting that W*(x)W(x) is correlated, i.e. not independent we argue. Furthermore, the form ((1)) uses only position when there is an expectation value for < p*p> an , both functions of x, where p is momentum. Thus, the variance of p-ensemble average may change with x, yet position only is used in the computation of Shannon’s entropy, which we argue seems unusual. In a previous note (1), we suggest using a(1)exp(ip1 x) a(p2)exp(ip2 x) as the probability for Shannon’s entropy. This leads to a spatial form 2W x d/dx W which matches ((1)) for the ground state of the quantum oscillator case. For the ground state oscillator, W*W=C exp(-ax*x) i.e. a Gaussian. This suggests that for this case only, W*(x)W(x) represents an independent probability which may be used in Shannon’s entropy, we argue. We attempt to consider these issues in this note.
The von Neumann entropy definition is -Tr ( d ln(d)) and is linked to: = Tr (d A) ((1)). Here d is a matrix as is A i.e Aij = . As a result d is often not diagonal. It seems further that the idea of entropy is linked to an operator (2). In other words, one might have certain probabilities linked to the operator P momentum and a different set to X. For a diagonal d, von Neumann’s form is the same as Shannon’s entropy, but uses the eigenvalues of d. For a pure quantum bound state Wn(x), it seems that one considers the two operators X and P and writes two entropies using Shannon’s entropy form: - Integral dx W(x)W(x) ln(WW) and -Integral dp a(p)a(p) ln(a(p)a(p)) where W(x)=wavefunction= Sum over p a(p)exp(ipx). Here P(x)=W(x)W(x) and P(p)=a(p)a(p). For example in (3), one may see calculations of these “distinct” entropies for a particle in a box with infinite potential walls. X and P are linked to measurables and for a quantum bound system one cannot know exactly x and p at the same time. One may write < KE > for a bound state in two ways: Integral dp a(p)a(p) pp/2m or Integral dx W(x) (-1/2m d/dx dW/dx). Using Shannon’s entropy approach one obtains two different entropy values Sx and Sp. With respect to von Neumann’s entropy, it is zero for a pure state. Although one cannot know x and p at the same time (in terms of a measurement) that does not prevent one from writing x and p together (i.e. both known) in exp(ipx) for the wavefunction of a free particle. In this note we suggest that one might consider product probabilities linked to more than one operator when considering entropy. For example, for <KE> one may write Integral dx P(x) Integral dp pp/2m P(p/x) thus acknowledging that both x and p play a role. In this case, P(x)P(p/x) is the probability to use in Shannon’s entropy as we have shown in (4). In (3) it is suggested that P(x)P(p/x) be used in order to incorporate both variables x and p. Using P(x)P(p) in Shannon’s entropy yields the same overall entropy when integrated over x and p i.e. S=Sx+Sp. One reason that the sum is useful is that it eliminates parameters such as L (box length) for a particle in a box with infinite walls (or k the spring constant for an oscillator. This allows for a quantum adiabatic transformation of a pure state to be isentropic. This follows from a Fourier transformation i.e. W(x)=Sum over p a(p)exp(ipx). The two variables p and x scale with L in the opposite manner i.e. x/L and pL (5). Thus we argue that entropy is not necessarily linked to only one operator, but rather for a pure state is linked to variables which appear in a Fourier transform. Usually a Fourier transform is simply a mathematical procedure, but not in the case of the quantum pure state wavefunction where the variable p is actually momentum. In this note we try to investigate how the quantum relationship between p and x emerges. We argue that it exists at the level of the classical action for a free particle (relativistic or nonrelativistic) A=-Et+px where dA/dx partial =p and dA/dt partial = -E. Thus p and x are variable pairs in classical dynamics and this carries over to classical statistical phase space linked to p and x. We argue that a quantum dynamical link between p and x is also present in A i.e. -id/dx exp(iA) = p exp(iA). In other words p and x are linked dynamically in quantum mechanics as well (for a free particle) with exp(-iEt+ipx) being part of this link. The Fourier series form is already present in this solution as one may create a momentum distribution i.e. Sum over p a(p)exp(ipx). This depends on p and x and both affect any operator based on p and x (or one of these). Thus we expect that probabilities linked to both p and x should appear in an expression of entropy for a quantum bound state.
In the literature, Shannon’s entropy with spatial density as probability i.e. density(x) ln(density(x)) appears frequently. It seems, however, that this calculation of entropy assumes no knowledge of momentum, yet density=W(x)W(x) (for a bound state) where W(x) = Sum over p a(p) exp(ipx). In other words, the wavefunction W(x) contains information about the momentum distribution associated with P(p/x)= a(p) exp(ipx)/W(x). In classical statistical mechanics, entropy is calculated using exp[ - (p*p/2m + V(x))/T) which includes both momentum and spatial considerations. In a previous note (1), we calculated a possible expression for entropy using P(p/x)P(x). This includes Shannon’s spatial entropy and other terms even if one sums over p after forming Shannon’s entropy with P(p/x)P(x). In this note, we try to consider the interpretation of these two forms of entropy.