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The London Edinburgh and Dublin Philosophical Magazine and Journal of Science

XLIV. The virial theorem in quantum mechanics.

T. L. Cottrell, S. Paterson

Published Apr 1, 1951• 44 citations
Publisher

Abstract

Summary A derivation is given of a form of the virial theorem in quantum mechanics suitable for the discussion of a system of particles in a box.
DOI
10.1080/14786445108561063

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Generalisations of the virial theorm in Classical Mechanics and Quantum Mechanics are examined. It is shown that the generalised virial theorem in Quantum Mechanics leads to certain relations between matrix elements. The differences between the generalisations in Classical and Quantum Mechanics are identified. Some results arising from the radial Schrödinger equation in Quantum Mechanics are discussed. It is also shown that the generalisations of the virial theorem may be extended to arbitrary number of dimensions.

arXiv:1410.5592•Oct 21, 2014•0 citations
Most introductory books on quantum mechanics discuss the particle-in-a-box problem through solutions of the Schrödinger equation, at least, in the one-dimensional case. When introducing the virial theorem, however, its discussion in the context of this simple model is not considered and students ponder the question of the validity of the virial theorem for a system with, apparently, no forces. In this work, we address this issue by solving the particle in a finite box and show that the virial theorem is fulfilled when the appropriate Cauchy boundary conditions are taken into account. We also illustrate how, in the limit of the infinite potential box, the virial theorem holds as well. As a consequence, it is possible to determine the averaged force exerted by the walls on the particle. Finally, a discussion of these results in the classical limit is provided.
Heretofore, the hypervirial theorems recently introduced by Hirschfelder have only been applied to bound-state systems. In this paper it is shown that, with certain modifications, these theorems can also be applied to free systems, and, in particular, to scattering problems. The new form of the general hypervirial theorem is derived, and the theory is illustrated with the problem of a particle scattered by a central field. The ordinary virial theorem is deduced, together with other results of physical interest. Both classical and quantum-mechanical formalisms are considered, and in some cases the semiclassical approximation links corresponding results.
The virial theorem, introduced by Clausius in the field of statistical mechanics and later applied in both classical mechanics and quantum mechanics, is studied by making use of symplectic formalism as an approach, in the case of both the Hamiltonian and Lagrangian systems. The possibility of establishing virial-like theorems from one-parameter groups of non-strictly canonical transformations is analysed; the case of systems with a position-dependent mass is also discussed. Using the modern symplectic approach to quantum mechanics, we arrive at the quantum virial theorem in full analogy with the classical case.
The virial theorem is derived in quantum statistical mechanics for a time-dependent Hamiltonian that describes a charged particle in a time-dependent electromagnetic field. The time derivative of the expectation value of the Clausius operator satisfies an equation which is the same form as the classical equation for the Clausius function (r⋅mv). By taking a time average, the virial theorem of quantum mechanics for time-dependent states is obtained. By taking a statistical average and a time average, the virial theorem of quantum statistical mechanics is obtained.
Generalisations of the virial theorm in Classical Mechanics and Quantum Mechanics are examined. It is shown that the generalised virial theorem in Quantum Mechanics leads to certain relations between matrix elements. The differences between the generalisations in Classical and Quantum Mechanics are identified. Some results arising from the radial Schrödinger equation in Quantum Mechanics are discussed. It is also shown that the generalisations of the virial theorem may be extended to arbitrary number of dimensions.