期刊
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
卷 17, 期 1, 页码 1-6出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jctc.0c00987
关键词
-
资金
- National Science Foundation [CHE-1955302]
The small matrix decomposition of the path integral (SMatPI) allows for the expression of the reduced density matrix in terms of matrices corresponding to the number of states in the system, while avoiding the large storage requirements of tensor-based algorithms. This research extends the SMatPI methodology to handle residual memory beyond the entanglement length without increasing computational effort.
The small matrix decomposition of the path integral (SMatPI) for a discrete system coupled to a harmonic bath expresses the reduced density matrix in terms of matrices whose size is given by the number of states comprising the system, circumventing the large storage requirements of iterative tensor-based algorithms. The present work extends the SMatPI methodology to account for residual memory that exceeds the entanglement length without an increase in computational effort.
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