English

One-particle operator representation over two-particle basis sets for relativistic QED computations

Chemical Physics 2024-06-12 v1 Quantum Physics

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(many)-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 anti-symmetric 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-ZZ helium-like systems, for which other two-particle projection techniques are unreliable.

Keywords

Cite

@article{arxiv.2406.07086,
  title  = {One-particle operator representation over two-particle basis sets for relativistic QED computations},
  author = {Péter Hollósy and Péter Jeszenszki and Edit Mátyus},
  journal= {arXiv preprint arXiv:2406.07086},
  year   = {2024}
}
R2 v1 2026-06-28T17:01:01.816Z