TY - JOUR
T1 - Small Matrix Path Integral for Driven Dissipative Dynamics
AU - Makri, Nancy
N1 - Publisher Copyright:
© 2021 American Chemical Society
PY - 2021/12/9
Y1 - 2021/12/9
N2 - The small matrix decomposition of the quasi-adiabatic propagator path integral (SMatPI) for a system coupled to a harmonic bath, which accounts for multitime memory correlations in the influence functional without the use of tensors, is extended to include a time-dependent term that drives the system. In the case of a periodic field, the algorithm requires the construction of SMatPI matrices initialized over a short time interval. The SMatPI algorithm circumvents the large array storage of tensor-based iterative path integral decompositions and, in the case of a periodic field, also eliminates the demanding tensor multiplication at each time step, leading to dramatic savings which allow the fully quantum mechanical treatment of multistate systems and long-memory environments.
AB - The small matrix decomposition of the quasi-adiabatic propagator path integral (SMatPI) for a system coupled to a harmonic bath, which accounts for multitime memory correlations in the influence functional without the use of tensors, is extended to include a time-dependent term that drives the system. In the case of a periodic field, the algorithm requires the construction of SMatPI matrices initialized over a short time interval. The SMatPI algorithm circumvents the large array storage of tensor-based iterative path integral decompositions and, in the case of a periodic field, also eliminates the demanding tensor multiplication at each time step, leading to dramatic savings which allow the fully quantum mechanical treatment of multistate systems and long-memory environments.
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U2 - 10.1021/acs.jpca.1c08230
DO - 10.1021/acs.jpca.1c08230
M3 - Article
C2 - 34812645
AN - SCOPUS:85120375340
SN - 1089-5639
VL - 125
SP - 10500
EP - 10506
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
IS - 48
ER -