A generalized transformation theory which leads to a non-Hamiltonian description of dynamics is introduced. The transformation is such that all averages of observables remain invariant. However, the time evolution of the density matrix can no longer be expressed in terms of a commutator with the Hamiltonian. Therefore such transformations are not canonical in the usual sense. An explicit "two components" representation of the equations of motion is given which has the following properties: (a) each of the components satisfies a separate equation of motion, and (b) one component satisfies a kinetic equation of a generalized Boltzmann type.WE OBTAIN, THEREFORE, THE MOST REMARKABLE RESULT THAT THE RELATION BETWEEN DYNAMICS AND STATISTICAL MECHANICS (OR THERMODYNAMICS) TAKES A SPECIALLY TRANSPARENT AND SIMPLE FORM: thermodynamics appears in a precise sense as the random phase approximation of dynamics.Other problems such as the meaning of diagonalization of the Hamiltonian and definition of excitations will be treated in a forthcoming paper.
A generalized transformation theory which leads to a non-Hamiltonian description of dynamics is introduced. The transformation is such that all averages of observables remain invariant. However, the time evolution of the density matrix can no longer be expressed in terms of a commutator with the Hamiltonian. Therefore such transformations are not canonical in the usual sense. An explicit "two components" representation of the equations of motion is given which has the following properties: (a) each of the components satisfies a separate equation of motion, and (b) one component satisfies a kinetic equation of a generalized Boltzmann type.WE OBTAIN, THEREFORE, THE MOST REMARKABLE RESULT THAT THE RELATION BETWEEN DYNAMICS AND STATISTICAL MECHANICS (OR THERMODYNAMICS) TAKES A SPECIALLY TRANSPARENT AND SIMPLE FORM: thermodynamics appears in a precise sense as the random phase approximation of dynamics.Other problems such as the meaning of diagonalization of the Hamiltonian and definition of excitations will be treated in a forthcoming paper.
The investigation of the recently described generalized transformation theory which leads to a non-Hamiltonian description of dynamics is pursued. The concept of generalized unitary transformations of superoperators is introduced and a specific class of transformations studied. For nondissipative systems it is equivalent to the usual unitary transformations that diagonalize the Hamiltonian. The important point is that this class of transformations remains meaningful for dissipative systems, hence a new representation of dynamics that we shall call the "physical particle" representation. It has the following properties: (a) The energy (or an arbitrary function of the energy) is represented by a diagonal matrix. (b) In the ((0))II space (see these Proceedings, 65, 789 (1970)) corresponding to the coherent processes, the evolution can be described in terms of the changes in population of the physical particles. (c) At thermodynamic equilibrium, the physical particles are uncorrelated and behave as independent entities; the entropy has a purely combinatorial meaning.A full description of dynamics in this representation will be given in a forth-coming paper.
Hamiltonian mechanics describes the evolution of a system through its Hamiltonian. The Hamiltonian typically also represents the energy observable, a Noether-conserved quantity associated with the time invariance of the law of evolution. In both quantum and classical mechanics, Hamiltonian mechanics demands a precise relationship between time evolution and observable energy, albeit using slightly different terminology. We distill basic conditions satisfied in both quantum and classical mechanics, including canonical coordinate symmetries and inner product invariance. We express these conditions in the framework of generalized probabilistic theories, which includes generalizing the definition of energy eigenstates in terms of time-invariant properties of the Hamiltonian system. By postulating these conditions to hold, we derive a unified Hamiltonian system model. This unified framework describes quantum and classical mechanics in a consistent language, facilitating their comparison. We moreover discuss alternative theories: an equation of motion given by a mixture of commutation relations, an information-restricted version of quantum theory, and Spekken's toy theory. The findings give a deeper understanding of the Hamiltonian in quantum and classical theories and point to several potential research topics.
An attempt is made to interpret quantum mechanics as a statistical theory, or more exactly as a form of non-deterministic statistical dynamics. The paper falls into three parts. In the first, the distribution functions of the complete set of dynamical variables specifying a mechanical system (phase-space distributions), which are fundamental in any form of statistical dynamics, are expressed in terms of the wave vectors of quantum theory. This is shown to be equivalent to specifying a theory of functions of non-commuting operators, and may hence be considered as an interpretation of quantum kinematics . In the second part, the laws governing the transformation with time of these phase-space distributions are derived from the equations of motion of quantum dynamics and found to be of the required form for a dynamical stochastic process. It is shown that these phase-space transformation equations can be used as an alternative to the Schrödinger equation in the solution of quantum mechanical problems, such as the evolution with time of wave packets, collision problems and the calculation of transition probabilities in perturbed systems; an approximation method is derived for this purpose. The third part, quantum statistics , deals with the phase-space distribution of members of large assemblies, with a view to applications of quantum mechanics to kinetic theories of matter. Finally, the limitations of the theory, its uniqueness and the possibilities of experimental verification are discussed.
We formulate a theory for the transfer of energy from collective degrees of freedom to internal degrees of freedom when the former belong to the adiabatic large-amplitude regime. The framework is that of an extended mean-field theory including dissipation, with the following salient features: (i) The Born-Oppenheimer approximation is extended to finite excitation energy by the introduction of the concept of thermal state, that is pure with respect to collective coordinates and a (square root of a) density matrix with respect to internal coordinates. (ii) By assuming that these states form an approximate complete set for application of the Kerman-Klein method, the self-consistent theory of large amplitude collective motion is extended to finite excitation energy. (iii) The mean-field limit is taken, and further study is carried out in the basis of natural orbitals that diagonalizes the one-particle density matrix. In the approximation maintained uniformly in this work, the equations of motion for the orbitals are shown to be of Hamiltonian form; to these are conjoined the master equations for the time rate of change of the occupation numbers. The latter are studied in two extreme limits. In the collisionless limit, dissipation still arises from the response of the mean field to the collective motion (one-body friction). At the opposite extreme, collisions are assumed to be so effective as to force the system always to be in a state of local (constrained) equilibrium. (iv) We review a procedure by which the noncollective variables in the Hamiltonian may be eliminated, leading to equations of motion for the collective variables with dissipative terms that in general depend on the history of the system. The limit of instantaneous friction can be justified in an adiabatic approximation. (v) A decoupling procedure is developed for deriving the form of these equations of motion from the mean-field theory, with the ultimate aim of obtaining the macroscopic parameters that appear in the classical equations of motion for the collective variables. This procedure generalizes that developed in extensive previous work on large amplitude collective motion at zero temperature. (vi) Associating the dissipative equations of motion for the collective variables with one of the assumptions concerning the rates of change of the occupation numbers provides a description of the relaxation of a system initially perturbed from a state of dynamic equilibrium.
The latest results of density matrix theory are summarized in terms of analysis of off-diagonal components. For a given reduced density matrix (RDM) of arbitrary order, the full density matrix is explicitly constructed, from which the RDM is derived by means of the corresponding reduction procedure. Both the matrices satisfy all the necessary conditions, such antisymmetry, normalization, hermiticity, except that the non-negative definiteness of the full DM is not guaranteed. If an RDM satisfies the necessary inequalities with the same number of indices as it has itself, then, as proved here, there is an additive correction to the full DM matrix that turns it into a non-negative definite matrix leading to the same RDM and satisfying the other requirements. This establishes a fundamental fact that these inequalities are sufficient as well, providing the N-representability of the given RDM. The construction is based on the classification, introduced in the article, of the multi-index elements of the RDM and full DM according to their degree of off-diagonality. RDM elements with a predetermined degree of off-diagonality are expressed through full DM elements with the same off-diagonality. This shows that the conventional variational approach to calculating the energy of the system by convex programming methods under the conditions of N-representability (before and even after reaching the minimum energy) generally does not lead to constructing a mixed quantum state composed of solutions to the Schrödinger equation. Therefore, except for the energy, it does not guarantee a correct description of the other properties so long as the conditions of correctness for each particular property are not expressed in terms of the RDM and not incorporated into the specific conditions of N-representability (regardless of the requirement of energy minimization).
Abstract The new quantum theory, based on the assumption that the dynamical variables do not obey the commutative law of multiplication, has by now been developed sufficiently to form a fairly complete theory of dynamics. One can treat mathematically the problem of any dynamical system composed of a number of particles with instantaneous forces acting between them, provided it is describable by a Hamiltonian function, and one can interpret the mathematics physically by a quite definite general method. On the other hand, hardly anything has been done up to the present on quantum electrodynamics. The questions of the correct treatment of a system in which the forces are propagated with the velocity of light instead of instantaneously, of the production of an electromagnetic field by a moving electron, and of the reaction of this field on the electron have not yet been touched. In addition, there is a serious difficulty in making the theory satisfy all the requirements of the restricted principle of relativity, since a Hamiltonian function can no longer be used. This relativity question is, of course, connected with the previous ones, and it will be impossible to answer any one question completely without at the same time answering them all. However, it appears to be possible to build up a fairly satisfactory theory of the emission of radiation and of the reaction of the radiation field on the emitting system on the basis of a kinematics and dynamics which are not strictly relativistic. This is the main object of the present paper. The theory is noil-relativistic only on account of the time being counted throughout as a c-number, instead of being treated symmetrically with the space co-ordinates. The relativity variation of mass with velocity is taken into account without difficulty. The underlying ideas of the theory are very simple. Consider an atom interacting with a field of radiation, which we may suppose for definiteness to be confined in an enclosure so as to have only a discrete set of degrees of freedom. Resolving the radiation into its Fourier components, we can consider the energy and phase of each of the components to be dynamical variables describing the radiation field. Thus if Er is the energy of a component labelled r and θr is the corresponding phase (defined as the time since the wave was in a standard phase), we can suppose each Er and θr to form a pair of canonically conjugate variables. In the absence of any interaction between the field and the atom, the whole system of field plus atom will be describable by the Hamiltonian H ═ ΣrEr + Ho equal to the total energy, Ho being the Hamiltonian for the atom alone, since the variables Er, θr obviously satisfy their canonical equations of motion Er ═ — ∂H/∂θr ═ 0, θr ═ ∂H/∂Er ═ 1.