TY - JOUR
T1 - Small matrix disentanglement of the path integral
T2 - Overcoming the exponential tensor scaling with memory length
AU - Makri, Nancy
N1 - Publisher Copyright:
© 2020 Author(s).
PY - 2020/1/31
Y1 - 2020/1/31
N2 - The discretized path integral expression for the reduced density matrix (RDM) of a system interacting with a dissipative harmonic bath is fully entangled because of influence functional terms that couple the variables at different time points. The iterative decomposition of the path integral, which exploits the finite length of influence functional memory, involves a tensor propagator whose size grows exponentially with the memory length. The present Communication disentangles the path integral by recursively spreading the temporal entanglement over longer path segments, while decreasing its contribution. Eventually, the entangled term becomes sufficiently small and may be neglected, leading to iterative propagation of the RDM through simple multiplication of matrices whose size is equal to that of the bare system. It is found that the temporal entanglement length is practically equal to the bath-induced memory length. The small matrix decomposition of the path integral (SMatPI) is stable and very efficient, extending the applicability of numerically exact real-time path integral methods to multi-state systems.
AB - The discretized path integral expression for the reduced density matrix (RDM) of a system interacting with a dissipative harmonic bath is fully entangled because of influence functional terms that couple the variables at different time points. The iterative decomposition of the path integral, which exploits the finite length of influence functional memory, involves a tensor propagator whose size grows exponentially with the memory length. The present Communication disentangles the path integral by recursively spreading the temporal entanglement over longer path segments, while decreasing its contribution. Eventually, the entangled term becomes sufficiently small and may be neglected, leading to iterative propagation of the RDM through simple multiplication of matrices whose size is equal to that of the bare system. It is found that the temporal entanglement length is practically equal to the bath-induced memory length. The small matrix decomposition of the path integral (SMatPI) is stable and very efficient, extending the applicability of numerically exact real-time path integral methods to multi-state systems.
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U2 - 10.1063/1.5139473
DO - 10.1063/1.5139473
M3 - Article
C2 - 32007067
AN - SCOPUS:85079068060
SN - 0021-9606
VL - 152
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 4
M1 - 041104
ER -