One-particle operator representation over two-particle basis sets for relativistic QED computations
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arXiv
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| Auteurs principaux: | , , |
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866909221557108736 |
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| author | Hollósy, Péter Jeszenszki, Péter Mátyus, Edit |
| author_facet | Hollósy, Péter Jeszenszki, Péter Mátyus, Edit |
| contents | 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-$Z$ helium-like systems, for which other two-particle projection techniques are unreliable. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2406_07086 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | One-particle operator representation over two-particle basis sets for relativistic QED computations Hollósy, Péter Jeszenszki, Péter Mátyus, Edit Chemical Physics Quantum Physics 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-$Z$ helium-like systems, for which other two-particle projection techniques are unreliable. |
| title | One-particle operator representation over two-particle basis sets for relativistic QED computations |
| topic | Chemical Physics Quantum Physics |
| url | https://arxiv.org/abs/2406.07086 |