Representability for Quantum Theory beyond Particle-Number Conservation
Fuente:
arXiv
Saved in:
| Main Author: | |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866913063968440320 |
|---|---|
| author | Mazziotti, David A. |
| author_facet | Mazziotti, David A. |
| contents | Representability determines when a two-particle reduced density matrix (2-RDM) corresponds to a physical quantum state, enabling many-particle quantum calculations with 2-RDMs rather than the wave function. In this Letter, we present a solution of the representability problem for quantum systems without particle-number conservation. The physically allowed set of 2-RDMs can be characterized from a geometrically `orthogonal' set, the polar cone. We derive explicit linear equations for the two-body operators in the polar cone -- the intersection of the $p$-positive cone with the two-body operator space -- to obtain a systematic hierarchy of representability conditions that do not depend on higher RDMs or the wave function. Moreover, by augmenting these conditions with the particle-number variance, we obtain a unified framework for treating both particle-number-conserving and nonconserving systems. We illustrate with a spin system and molecular H$_4$. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2604_23869 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Representability for Quantum Theory beyond Particle-Number Conservation Mazziotti, David A. Quantum Physics Chemical Physics Representability determines when a two-particle reduced density matrix (2-RDM) corresponds to a physical quantum state, enabling many-particle quantum calculations with 2-RDMs rather than the wave function. In this Letter, we present a solution of the representability problem for quantum systems without particle-number conservation. The physically allowed set of 2-RDMs can be characterized from a geometrically `orthogonal' set, the polar cone. We derive explicit linear equations for the two-body operators in the polar cone -- the intersection of the $p$-positive cone with the two-body operator space -- to obtain a systematic hierarchy of representability conditions that do not depend on higher RDMs or the wave function. Moreover, by augmenting these conditions with the particle-number variance, we obtain a unified framework for treating both particle-number-conserving and nonconserving systems. We illustrate with a spin system and molecular H$_4$. |
| title | Representability for Quantum Theory beyond Particle-Number Conservation |
| topic | Quantum Physics Chemical Physics |
| url | https://arxiv.org/abs/2604.23869 |