TY - JOUR
T1 - Small matrix modular path integral
T2 - iterative quantum dynamics in space and time
AU - Makri, Nancy
N1 - Publisher Copyright:
© the Owner Societies 2021.
PY - 2021/6/14
Y1 - 2021/6/14
N2 - The modular path integral (MPI) formulation for one-dimensional extended systems, such as spin arrays or molecular aggregates, allows evaluation of spin- or exciton-vibration dynamics with effort that scales linearly with the number of units. This work presents a small matrix decomposition of the modular path integral (SMatMPI), which eliminates tensor storage and enables iterative long-time propagation.
AB - The modular path integral (MPI) formulation for one-dimensional extended systems, such as spin arrays or molecular aggregates, allows evaluation of spin- or exciton-vibration dynamics with effort that scales linearly with the number of units. This work presents a small matrix decomposition of the modular path integral (SMatMPI), which eliminates tensor storage and enables iterative long-time propagation.
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U2 - 10.1039/d1cp01483h
DO - 10.1039/d1cp01483h
M3 - Article
C2 - 34042139
AN - SCOPUS:85107886314
SN - 1463-9076
VL - 23
SP - 12537
EP - 12540
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 22
ER -