TY - JOUR
T1 - Two-Tier Modular Anharmonic Small Matrix Path Integral with Composite Spin-Boson Baths
AU - Makri, Nancy
N1 - Publisher Copyright:
© 2024 American Chemical Society.
PY - 2024/9/20
Y1 - 2024/9/20
N2 - The anharmonic small matrix path integral (anh-SMatPI) algorithm is adapted to composite environments, where each anharmonic bath unit couples to the system and to its own harmonic bath. The propagation matrices are obtained from numerical evaluation of the composite influence functional, which is based on separate iterative path integral calculations for each bath module. The numerically exact nature of the algorithm is demonstrated on a two-level system (TLS) coupled to dissipative TLS baths of one, two, and 50 units.
AB - The anharmonic small matrix path integral (anh-SMatPI) algorithm is adapted to composite environments, where each anharmonic bath unit couples to the system and to its own harmonic bath. The propagation matrices are obtained from numerical evaluation of the composite influence functional, which is based on separate iterative path integral calculations for each bath module. The numerically exact nature of the algorithm is demonstrated on a two-level system (TLS) coupled to dissipative TLS baths of one, two, and 50 units.
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U2 - 10.1021/acs.jctc.4c00980
DO - 10.1021/acs.jctc.4c00980
M3 - Article
C2 - 39301954
AN - SCOPUS:85204916023
SN - 1549-9618
JO - Journal of Chemical Theory and Computation
JF - Journal of Chemical Theory and Computation
ER -