One-Particle Operator Representation over Two-Particle Basis Sets for Relativistic QED Computations.

Abstract

This work is concerned with two-spin-1/2-fermion relativistic quantum mechanics, and it is about the construction of one-particle projectors using an inherently two-particle, "explicitly correlated" basis representation necessary for good numerical convergence of the interaction energy. It is demonstrated that a faithful representation of the one-particle operators, which appear in intermediate but essential computational steps, can be constructed over a many-particle basis set by accounting for the full Hilbert space beyond the physically relevant antisymmetric subspace. Applications of this development can be foreseen for the computation of quantum-electrodynamics corrections for a correlated relativistic reference state and high-precision relativistic computations of medium-to-high-Z helium-like systems, for which other two-particle projection techniques are unreliable.