期刊
PHYSICAL REVIEW LETTERS
卷 111, 期 13, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.111.132505
关键词
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资金
- DOE [DE-FG02-97ER25308]
- National Science Foundation [CHE-1011360, OCI-1047577]
- Department of Defense through a National Security Science and Engineering Faculty Fellowship (NSSEFF)
- U. S. Department of Energy by the Lawrence Livermore National Laboratory [DE-AC52-07NA27344]
- U. S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Nuclear Physics
- NSF CRIF [CHE-0946869]
- Georgia Tech.
- Direct For Computer & Info Scie & Enginr
- Office of Advanced Cyberinfrastructure (OAC) [1047577] Funding Source: National Science Foundation
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1011360] Funding Source: National Science Foundation
Configuration-space matrix elements of N-body potentials arise naturally and ubiquitously in the Ritz-Galerkin solution of many-body quantum problems. For the common specialization of local, finite-range potentials, we develop the exact tensor hypercontraction method, which provides a quantized renormalization of the coordinate-space form of the N-body potential, allowing for a highly separable tensor factorization of the configuration-space matrix elements. This representation allows for substantial computational savings in chemical, atomic, and nuclear physics simulations, particularly with respect to difficult exchangelike contractions.
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