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Journal of Mathematical Chemistry

Position and momentum information-theoretic measures of a D-dimensional particle-in-a-box

Sheila López‐Rosa, Jesús Montero, Pablo Sánchez-Moreno, J. Venegas, J. S. Dehesa

Published Dec 28, 2010• 28 citations
Publisher
DOI
10.1007/s10910-010-9790-3

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A coarse-grained Wigner distribution ${p}_{W}(x,\ensuremath{\mu})$ obeying positivity derives out of information-theoretic considerations. Let $p(x,\ensuremath{\mu})$ be the unknown joint probability density function (PDF) on position and momentum fluctuations xxx, $\ensuremath{\mu}$ for a particle in a pure state $\ensuremath{\psi}(x)$. Suppose that the phase part $\ensuremath{\Psi}(x,z)$ of its Fourier transform ${T}_{F}[p(x,\ensuremath{\mu})]\ensuremath{\equiv}\ensuremath{\mid}G(x,z)\ensuremath{\mid}\mathrm{exp}[i\ensuremath{\Psi}(x,z)]$ is constructed as a hologram. (Such a hologram is often used in heterodyne interferometry.) Consider a particle randomly illuminating this phase hologram. Let its two position coordinates be measured. Require that the measurements contain an extreme amount of Fisher information about true position, through variation of the phase function $\ensuremath{\Psi}(x,z)$. The extremum solution gives an output PDF $p(x,\ensuremath{\mu})$ that is the convolution of the Wigner ${p}_{W}(x,\ensuremath{\mu})$ with an instrument function defining uncertainty in either position xxx or momentum $\ensuremath{\mu}$. The convolution arises naturally out of the approach, and is one dimensional, in comparison with the ad hoc two-dimensional convolutions usually proposed for coarse graining purposes. The output obeys positivity, as required of a PDF, if the one-dimensional instrument function is sufficiently wide. The result holds for a large class of systems: those whose amplitudes $\ensuremath{\psi}(x)$ are the same at their boundaries [examples: states $\ensuremath{\psi}(x)$ with positive parity; with periodic boundary conditions; free particle trapped in a box].
The influence of wave function symmetry on statistical correlation is studied for the case of three non-interacting spin-free quantum particles in a unidimensional box, in position and in momentum space. Higher-order statistical correlations occurring among the particles in this three-particle quantum system is quantified via higher-order mutual information and compared to the correlation between pairs of variables in this model, and to the correlation in the two-particle system. The results for the higher-order mutual information show that in general symmetric wave functions are more correlated than the antisymmetric ones with same quantum numbers. This holds in position as well as in momentum space. This behavior is opposite to that observed for the correlation between pairs of variables in this model, and the two-particle system, where the antisymmetric wave functions are in general more correlated. The use of higher-order mutual information as a correlation measure, is monitored and examined by considering a superposition of states or systems with two Slater determinants.
In this paper we have solved analytically the Schrodinger equation for a microscopic particle in a one-dimensional box with two infinite walls, which the potential function inside it, has a linear form. Based on the solutions of this special quantum mechanical system, we have shown that as the quantum number approaches infinity the expectation values of microscopic particle position and square of the linear momentum are equal to the classical time average of particle position and its square of the linear momentum, respectively.