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非单元变量量子Eigensolver使用本地化活性空间方法和降低成本

Qiaohong Wang1, Ruhee D'Cunha2, Abhishek Mitra2

  • 1Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States.

The journal of physical chemistry. A
|August 18, 2025
PubMed
概括

局部活性空间自相一致场 (LASSCF) 与非单元的VQE (nuVQE) 结合,为量子化学提供了负担得起和准确的方法. 这种LAS-nuVQE方法可以在使用最小的量子资源的情况下实现对强相关系系统的化学精度.

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