Rfw. Bader, PRINCIPLE OF STATIONARY ACTION AND THE DEFINITION OF A PROPER OPEN SYSTEM, Physical review. B, Condensed matter, 49(19), 1994, pp. 13348-13356
The generalization of the variation of the action-integral operator in
troduced by Schwinger in the derivation of the principle of stationary
action enables one to use this principle to obtain a description of t
he quantum mechanics of an open system. It is shown that augmenting th
e Lagrange-function operator by the divergence of the gradient of the
density operator, a process which leaves the equations of motion unalt
ered, leads to a class of generators whose associated infinitesimal tr
ansformations yield variations of the action-integral operator for an
open system, similar in form and content to those obtained for the tot
al, isolated system. The augmented Lagrange-function operator and the
associated action-integral operator are termed proper operators, since
only their variation yields equations of motion for the observables o
f an open system, in agreement with the expressions obtained from the
field equations. Modifying the generator in this manner is shown to be
equivalent to requiring that the open system be bounded by a surface
through which there is a local zero flux in the gradient vector field
of the electron density. Only the observables of such properly defined
open systems are described by the correct equations of motion. The ph
ysical significance of such proper open systems is discussed.