TY - JOUR
T1 - Small Matrix Path Integral with Extended Memory
AU - Makri, Nancy
N1 - Funding Information:
This material is based upon work supported by the National Science Foundation under Award CHE-1955302.
Publisher Copyright:
© 2020 American Chemical Society.
PY - 2021/1/12
Y1 - 2021/1/12
N2 - 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.
AB - 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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U2 - 10.1021/acs.jctc.0c00987
DO - 10.1021/acs.jctc.0c00987
M3 - Article
C2 - 33430598
AN - SCOPUS:85097776919
SN - 1549-9618
VL - 17
SP - 1
EP - 6
JO - Journal of Chemical Theory and Computation
JF - Journal of Chemical Theory and Computation
IS - 1
ER -