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The British Journal for the Philosophy of Science

Is - kTr(ρlnρ) the Entropy in Quantum Mechanics

O. R. Shenker

Published Mar 1, 1999• 20 citations
Publisher

Abstract

In quantum mechanics, the expression for entropy is usually taken to be -kTr(ρlnρ), where ρ is the density matrix. The convention first appears in Von Neumann's Mathematical Foundations of Quantum Mechanics. The argument given there to justify this convention is the only one hitherto offered. All the arguments in the field refer to it at one point or another. Here this argument is shown to be invalid. Moreover, it is shown that, if entropy is -kTr(ρlnρ), then perpetual motion machines are possible. This and other considerations support the conclusion that this expression is not the quantum-mechanical correlate of thermodynamic entropy. Its usefulness in quantum-statistical mechanics can be explained by its being a convenient quantification of information, but information and entropy are not synonymous. As the present paper shows, one can change while the other is conserved.

DOI
10.1093/bjps/50.1.33

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In quantum mechanics, the expression for entropy is usually taken to be -kTr(ρlnρ), where ρ is the density matrix. The convention first appears in Von Neumann's Mathematical Foundations of Quantum Mechanics. The argument given there to justify this convention is the only one hitherto offered. All the arguments in the field refer to it at one point or another. Here this argument is shown to be invalid. Moreover, it is shown that, if entropy is -kTr(ρlnρ), then perpetual motion machines are possible. This and other considerations support the conclusion that this expression is not the quantum-mechanical correlate of thermodynamic entropy. Its usefulness in quantum-statistical mechanics can be explained by its being a convenient quantification of information, but information and entropy are not synonymous. As the present paper shows, one can change while the other is conserved.
Abstract Numerous expressions exist in the scientific literature purporting to represent entropy. Are they all acceptable? To answer this question, we review the thermodynamic definition of entropy, and establish eight criteria that must be satisfied by it. The definition and criteria are obtained by using solely the general, nonstatistical statements of the first and second laws presented in Thermodynamics: Foundations and Applications by Gyftopoulos and Beretta (1991). We apply the eight criteria to each of the expressions proposed in the literature and, for the first time, find that only the relation S = −kTrρlnρ satisfies all the criteria, provided that the density operator ρ corresponds to a homogeneous ensemble of identical systems, identically prepared. Homogeneous ensemble means that every member of the ensemble is described by the same density operator ρ as any other member, that is, the ensemble is not a statistical mixture of projectors (wave functions).
Numerous expressions exist in the scientific literature purporting to represent entropy. Are they all acceptable? To answer this question, we review the thermodynamic definition of entropy, and establish eight criteria that must be satisfied by it. The definition and criteria are obtained by using solely the general, nonstatistical statements of the first and second laws presented in Thermodynamics: Foundations and Applications [Elias P. Gyftopoulos and Gian Paolo Beretta (Macmillan, New York, 1991)]. We apply the eight criteria to each of the entropy expressions proposed in the literature and find that only the relation S=-kTr\ensuremath{\rho}ln \ensuremath{\rho} satisfies all the criteria, provided that the density operator \ensuremath{\rho} corresponds to a homogeneous ensemble of identical systems, identically prepared. Homogeneous ensemble means that every member of the ensemble is described by the same density operator \ensuremath{\rho} as any other member, that is, the ensemble is not a statistical mixture of projectors (wave functions).
Von Neumann defined the informational entropy of a density matrix ρ by the expression S(ρ)=−tr(ρ ln ρ). [J. Von Neumann, Die Mathematischen Grundlagen der Quantummechanik (Springer-Verlag, Berlin, 1932)]. Here, starting from the definitions of Shannon entropy and of Renyi entropy of random variables, and using some (reasonable) rules of inference, two expressions are obtained for the quantum entropy of a given square (deterministic) matrix, irrespective of any probabilistic framework and/or any randomization technique. These definitions apply directly to linear operators on Hilbert spaces even when they are not of positive trace class, and they contain Von Neumann entropy as a special case. These new measures of uncertainty could provide new approaches to some problems related to structure complexity.
Peres and Weinberg have debated the definition of entropy in nonlinear quantum mechanics. This issue can be resolved, it is contended, if one adopts an entropy measure consistent with the approach of Guiasu (following work of Wiener and Siegel) in which a probability distribution over the space of wavefunctions is estimated. This is tantamount to rejecting the von Neumann measure (S N ), -Tr rho ln rho , of the entropy of a density matrix ( rho ), which is at the basis of Peres' argument. As authority for such a rejection of S N , a detailed critique of this measure, given by Band and Park in the mid-1970s, can be cited.
In 1932, John von Neumann argued for the equivalence of the thermodynamic entropy and −Trρlnρ, since known as the von Neumann entropy. Meir Hemmo and Orly R. Shenker recently challenged this argument by pointing out an alleged discrepancy between the two entropies in the single-particle case, concluding that they must be distinct. In this article, their argument is shown to be problematic as it (a) allows for a violation of the second law of thermodynamics and (b) is based on an incorrect calculation of the von Neumann entropy.