Connection between the maximal entropy and the scattering theoretic analyses of collision processes

Abstract

The information-theoretic maximal-entropy procedure for the analysis of collision processes is derived as a consequence of the dynamics, be they quantal or classical. The method centers attention on the minimal number of operators (the "dynamic constraints") whose expectation values are both necessary and sufficient to completely characterize the collision dynamics. For a given Hamiltonian and initial state, the constraints required to obtain an exact solution of the equations of motion are determined by a purely algebraic procedure. It is furthermore found possible to derive equations of motion for the conjugate Lagrange parameters. Immediate applications are noted, e.g., a family of similar reactions is shown to have a common set of dynamic constraints and simple illustrative applications are provided. The determination of the scattering matrix is discussed, with examples. The general formalism consists in solving the scattering problem in two stages. The first is purely algebraic. At the end of this stage one obtains the functional form of, say, the scattering matrix or of the density matrix after the collision expressed in terms of parameters whose number equals the number of dynamic constraints. The end result of this algebraic stage suffices to analyze the scattering pattern for any initial state. The second stage is the predictive procedure. Explicit coupled first-order nonlinear differential equations are obtained for the parameters.