It is well known that the Dirac equations determine three conservation laws, for current, for energy momentum, and for angular momentum. Dividing the Dirac equations in two parts, one, DI, which does not contain the density ρ, the other, DII, which contains ρ, it is shown that DI together with the three conservation equations, determine DII. From this result, a model of formulation of the Dirac theory is proposed, following a scheme similar to that of classical mechanics, in which principles regarding the motion of one particle are associated with conservation theorems concerning statistical ensembles of particles.
In the classical work by Irving and Zwanzig [Irving J.H. and Zwanzig R.W., J. Chem. Phys. 19 (1951), 1173-1180 ] it has been shown that quantum observables for macroscopic density, momentum and energy satisfy the conservation laws of fluid dynamics. This work derives the corresponding classical molecular dynamics limit by extending Irving and Zwanzig's result to matrix-valued potentials for a general quantum particle system. The matrix formulation provides the semi-classical limit of the quantum observables in the conservation laws, also in the case where the temperature is large compared to the electron eigenvalue gaps. The classical limit of the quantum observables in the conservation laws is useful in order to determine the constitutive relations for the stress tensor and the heat flux by molecular dynamics simulations. The main new steps to obtain the molecular dynamics limit is to: (i) approximate the dynamics of quantum observables accurately by classical dynamics, by diagonalizing the Hamiltonian using a non linear eigenvalue problem, (ii) define the local energy density by partitioning a general potential, applying perturbation analysis of the electron eigenvalue problem, (iii) determine the molecular dynamics stress tensor and heat flux in the case of several excited electron states, and (iv) construct the initial particle phase-space density as a local grand canonical quantum ensemble determined by the initial conservation variables.
As in classical physics, also in quantum mechanics: physical processes are bound to obey conservation laws. However, there is an important difference. While in classical physics we can suppose that all variables have definite values (irrespective of whether we know them or not), quantum mechanics allows them to be intrinsically uncertain. In those cases conservation laws apply only to ensemble averages (expectation values), and hence are less informative. They show their full strength in measurement processes. Then the measured values satisfy the respective conservation laws in any individual experiment. Let me remind you of spin measurements on a system of two spin-½ particles, being in a state with zero total spin, which we used in Section 5.5 to illustrate the EPR paradox. The spin components, with respect to an arbitrarily chosen direction, of the two particles are indefinite; however, measuring them yields definite values (+½ or −½) that add up to zero, thus confirming the angular conservation law. In the following, we will consider some realistic experiments for which conservation laws provide a simple explanation. Energy and momentum conservation For an understanding of the interaction between matter and radiation, Einstein's photon concept (actually, he spoke of ‘light quanta’) proved to be very helpful. He assumed photons to be particle-like constituents of electromagnetic radiation, in particular light. They have the energy h ν, where ν is the frequency of the radiation field. (Since the electromagnetic spectrum extends over an extremely wide range, there is a huge number of different sorts of photons.) The crucial point is that photons are generated or annihilated only as a whole. This property gives rise to typical quantum effects.