In this chapter, we investigate the Dirac equation, which is named after P. A. M. Dirac, who is one of the fathers of quantum field theory. The Dirac equation is a relativistic quantum mechanical wave equation for spin-1/2 particles (e.g. electrons), which was derived by Dirac in 1928. The difficulties in finding a consistent single-particle theory from the Klein–Gordon equation led Dirac to search for an equation that had a positive-definite conserved probability density and was first order both in time and space. One can show that these two conditions imply that a matrix equation is required. The reason why the Klein–Gordon equation did not yield a positive-definite probability density is connected with the second-order time derivative in this equation, which arises because the Klein–Gordon equation is related to the relativistic energy–momentum relation E 2 = m 2 + p 2 via the correspondence principle that includes a term E 2 . Thus, a ‘better’ Lorentz covariant wave equation with a positive-definite probability density should have a first-order time derivative only. However, the equivalence of time and space coordinates in Minkowski space requires that such an equation also have only first-order space derivatives.
Usually, variational calculations for the second-order reduced density matrix are performed subject to the constraint that the ``
P'' and ``
Q'' matrices are positive semidefinite, which only constrains the lowest eigenvalue of these matrices. We characterize the highest eigenvalue of these matrices and discuss how the associated constraint (which is related to the ground-state energy of the Hamiltonians $H=\ensuremath{-}P$ and $H=\ensuremath{-}Q$) can be implemented in practical calculations. This necessary condition for
N-representability should help ensure that the second-order reduced density matrix is not ``overcorrelated.''