In (1) (from 2016), a complex quantum entropy is introduced as: S density = - 2 ln(W) W*W, where W(r vector) is the wavefunction. We note that in the single particle bound case for which W*=W, that this entropy is -2 WW ln(W) = - WW ln(WW) which is the well-known Shannon’s result for spatial quantum entropy. (We note that there is usually also a momentum entropy - a(p)a(p) ln(a*(p)a(p)) which is not included in (1), but it is possible that one wishes to focus on spatial entropy alone). In previous notes (2) (from 2021), we introduced a complex quantum entropy - W ln(W) in order to calculate the free particle quantum wavefunction through the MaxEnt procedure. We then maximized this subject to the constraint - ikx W(x) in order to obtain exp(ikx). Here we try to show that the complex entropy of (1) is the same as that of (2), when one links (2) to the single particle bound state spatial entropy -W*W ln(W*W).
In (1) (from 2016), a complex quantum entropy is introduced as: S density = - 2 ln(W) WW, where W(r vector) is the wavefunction. We note that in the single particle bound case for which W=W, that this entropy is -2 WW ln(W) = - WW ln(WW) which is the well-known Shannon’s result for spatial quantum entropy. (We note that there is usually also a momentum entropy - a(p)a(p) ln(a*(p)a(p)) which is not included in (1), but it is possible that one wishes to focus on spatial entropy alone). In previous notes (2) (from 2021), we introduced a complex quantum entropy - W ln(W) in order to calculate the free particle quantum wavefunction through the MaxEnt procedure. We then maximized this subject to the constraint - ikx W(x) in order to obtain exp(ikx). Here we try to show that the complex entropy of (1) is the same as that of (2), when one links (2) to the single particle bound state spatial entropy -WW ln(WW).
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.
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.
Recently, there has been some interest in the literature in calculating temperature dependent quantum mechanical wavefunctions using the principle of maximum entropy. The idea seems to be to obtain a differential equation, similar to the Schrodinger equation, but with temperature dependent terms. It should be noted that this does not follow von Neumann statistical quantum mechanics. It should also be noted that other authors in the literature maximize or minimize other quantities related to information theory to calculate a wavefunction. The objective of this note is not to examine the maximization of entropy as applied to the calculation of a wavefunction, but to suggest a different form for entropy. Traditionally, authors seem to use the Shannon form -k W*(x)W(x) ln[ W*(x)W*(x)] as a spatial entropy and exchange W(x) for fp for the momentum one, with W(x) being the wavefunction. It is the spatial form which they seem to maximize in calculations. In this note, we consider a probability P(x intersection x) = W(x) fp sin(px) and use it in Shannon’’s entropy. Maximization of entropy then leads to an integral equation which, it seems, needs to be solved numerically, We can however, multiply such an equation by fp and sum over p to obtain results which can be compared with those of authors who use -k W*(x)W(x) ln[ W*(x)W*(x)] . NOTE: In later preprints, we have used W(x) fp exp(ipx) as probability and calculated Shannon's entropy. This has given an overall result for entropy including a term for Shannon's entropy for W(x), another term with Shannon's entropy for fp and a final term W(x) x d/dx W(x). This last term, linked to exp(ipx), is also equal to the covariance of x and d/dx ln(W(x)) which is used in the derivation of the Cramer-Rao inequality for Fisher information.
In this note, we examine the behaviour of Shannon’s entropy density for some examples in quantum mechanics. We start with a quasiparticle probability P(x and p) = W(x) fp exp(ipx) (where W(x) is the wavefunction given by Sum over p fp exp(ipx)) and obtain a Shannon’s entropy (after summing on p) : Total entropy density = -P(x) ln(P(x)) - P(p) ln(P(p)) - W(x) x d/dx W(x) ((1)) It may be noted that if f(p)=f(-p) ((1)) may also be written as: Total entropy density = -P(x) ln(P(x)) - P(p) ln(P(p)) - fp p d/dp fp We consider the cases of a particle in a box with an infinite potential at the walls and the harmonic oscillator ground state. Finally we consider the influence of u(x)= [d/dx W(x)]/W(x) on the spatial change of Shannon’s spatial entropy as W(x) and u(x) are often periodic and this leads to a periodic entropy density. In general, entropy is obtained by integrating the entropy density and one may question whether one should examine the density at all. In (1), however, entropy density is considered and it seems that there are some interesting properties of Shannon’s entropy density in quantum systems. Furthermore, there has been some recent work in the literature which makes use of entropy density to create an extra potential term for the Schrodinger equation in cases of temperature.
In (1), we noted that a Gaussian wavefunction may be a solution to the time-independent Schrodinger equation (e.g. the ground state solution of the quantum oscillator) and simultaneously a solution of maximizing spatial Shannon’s entropy - density(x) ln(density(x)) subject to the constraint V(x) xx constant, where density(x) =W*(x)W(x) with W(x) being the wavefunction. In (2), which deals strictly with classical probabilities and the Maxwell-Boltzmann factor n(ei) = exp(-ei/T), we argued that this function is equivalent to: ln(n(ei)) = -ei/T. This in turn is equivalent to the maximization of ln(n(ei)!) with the constraint ei n(ei) which is part of: ln( N!/ Product over i n(ei)!) with the full constraint Sum over i ei n(ei)=Eave. Here n(ei)=N p(ei) where p(ei) is a probability and N a very large number. Thus a function of exp( something) may indicate that “something” * density(x) is a constraint with -density ln(density) being Shannon’s entropy. Quantum mechanics for a bound system yields a real wavefunction W(x) such that density(x)=W(x)W(x)=probability(x). Thus maximization of Shannon’s entropy - density(x) ln (density) subject to a constraint: density(x)B(x) should correspond to a solution for density of exp( B(x)). B(x) as part of the constraint, however, should represent a physical constraint. Thus if there is a solution to the Schrodinger equation of the form exp(.5B(x)) and B(x)density(x) represents the physical constraint in the system, classical maximization of probability solves the quantum problem in such a case. The above ideas may be applied to the quantum oscillator ground state and essentially repeat what is done in (1). We, however, try to generalize them to see if they may apply to a free quantum particle. In this case the probability used is exp(ipx) which is complex. It corresponds to P(x)=exp(ipx)exp(-ipx)=1 which is a uniform distribution which has maximum lack of information.
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.