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| Format: | Preprint |
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2025
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| Online Access: | https://arxiv.org/abs/2511.14734 |
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| _version_ | 1866912716832112640 |
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| author | Zhang, Hao Otten, Matthew |
| author_facet | Zhang, Hao Otten, Matthew |
| contents | Accurate quantum many-body calculations often depend on reliable reference states or good human-designed ansätze, yet these sources of knowledge can become unreliable in hard problems like strongly correlated systems. We introduce the Trimmed Configuration Interaction (TrimCI) method, a prior-knowledge-free algorithm that builds accurate ground states directly from random Slater determinants. TrimCI iteratively expands the variational space and trims away unimportant states, allowing a random initial core to self-refine into an accurate approximation of exact ground state. Across challenging benchmarks, TrimCI achieves state-of-the-art accuracy with strikingly efficiency gains of several orders of magnitude. For [4Fe-4S] cluster, it matches recent quantum computing results with $10^6$-fold fewer determinants and CPU-hours. For the nitrogenase P-cluster, it matches selected-CI accuracy using $10^5$-fold fewer determinants. For $8\times8$ Hubbard model, it recovers over $99\%$ of the ground-state energy using only $10^{-28}$ of the Hilbert space. In some regimes, TrimCI attains orders-of-magnitude higher accuracy than AFQMC method. These results demonstrate that high-accuracy many-body ground states can be discovered directly from random determinants, establishing TrimCI as a prior-knowledge-free, accurate and highly efficient framework for quantum many-body systems. The compact explicit wavefunctions it produces further enable direct and rapid evaluation of observables. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2511_14734 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | From Random Determinants to the Ground State Zhang, Hao Otten, Matthew Quantum Physics Strongly Correlated Electrons Chemical Physics Accurate quantum many-body calculations often depend on reliable reference states or good human-designed ansätze, yet these sources of knowledge can become unreliable in hard problems like strongly correlated systems. We introduce the Trimmed Configuration Interaction (TrimCI) method, a prior-knowledge-free algorithm that builds accurate ground states directly from random Slater determinants. TrimCI iteratively expands the variational space and trims away unimportant states, allowing a random initial core to self-refine into an accurate approximation of exact ground state. Across challenging benchmarks, TrimCI achieves state-of-the-art accuracy with strikingly efficiency gains of several orders of magnitude. For [4Fe-4S] cluster, it matches recent quantum computing results with $10^6$-fold fewer determinants and CPU-hours. For the nitrogenase P-cluster, it matches selected-CI accuracy using $10^5$-fold fewer determinants. For $8\times8$ Hubbard model, it recovers over $99\%$ of the ground-state energy using only $10^{-28}$ of the Hilbert space. In some regimes, TrimCI attains orders-of-magnitude higher accuracy than AFQMC method. These results demonstrate that high-accuracy many-body ground states can be discovered directly from random determinants, establishing TrimCI as a prior-knowledge-free, accurate and highly efficient framework for quantum many-body systems. The compact explicit wavefunctions it produces further enable direct and rapid evaluation of observables. |
| title | From Random Determinants to the Ground State |
| topic | Quantum Physics Strongly Correlated Electrons Chemical Physics |
| url | https://arxiv.org/abs/2511.14734 |