期刊
PHYSICAL REVIEW X
卷 7, 期 3, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevX.7.031059
关键词
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资金
- Simons Foundation
- National Science Foundation (NSF) [DMR-1409510]
- Department of Energy (DOE) [DE-SC0001303]
- Department of Energy [DOE-SC0008624]
- National Science Foundation Graduate Research Fellowship Program [DGE- 1450681]
- NSF [PHY-1314735, DMR 1606348]
- High-Performance Computing Infrastructure (HPCI), Advanced Institute for Computational Science (AICS) [hp120174, hp140092, hp160126, hp170079]
- U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC008696]
- DOE Grant [ER 46932, ER16391]
- [NSF-CHE-1462434]
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1462434] Funding Source: National Science Foundation
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1409510] Funding Source: National Science Foundation
- U.S. Department of Energy (DOE) [DE-SC0001303] Funding Source: U.S. Department of Energy (DOE)
We present numerical results for the equation of state of an infinite chain of hydrogen atoms. Avariety of modern many-body methods are employed, with exhaustive cross-checks and validation. Approaches for reaching the continuous space limit and the thermodynamic limit are investigated, proposed, and tested. The detailed comparisons provide a benchmark for assessing the current state of the art in many-body computation, and for the development of new methods. The ground-state energy per atom in the linear chain is accurately determined versus bond length, with a confidence bound given on all uncertainties.
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