期刊
PHYSICAL REVIEW LETTERS
卷 106, 期 8, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.106.083001
关键词
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资金
- NSF
- ARO
- Microsoft Corporation
- Dreyfus Foundation
- David-Lucile Packard Foundation
The energy of a many-electron quantum system can be approximated by a constrained optimization of the two-electron reduced density matrix (2-RDM) that is solvable in polynomial time by semidefinite programming (SDP). Here we develop a SDP method for computing strongly correlated 2-RDMs that is 10-20 times faster than previous methods [D. A. Mazziotti, Phys. Rev. Lett. 93, 213001 (2004)]. We illustrate with (i) the dissociation of N-2 and (ii) the metal-to-insulator transition of H-50. For H-50 the SDP problem has 9.4 x 10(6) variables. This advance also expands the feasibility of large-scale applications in quantum information, control, statistics, and economics.
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