TY - JOUR
T1 - Small matrix decomposition of feynman path amplitudes
AU - Makri, Nancy
N1 - Publisher Copyright:
© 2021 American Chemical Society.
PY - 2021/7/13
Y1 - 2021/7/13
N2 - The small matrix decomposition of the path integral (SMatPI) is employed to devise expressions for the quantum mechanical amplitude of forward-backward paths in the path integral formulation. The amplitude is expressed as a sum of small matrix products, whose size is equal to that of the system's reduced density matrix, allowing the treatment of composite systems consisting of interacting subunits without the large storage requirements of the full amplitude tensor. Representative applications on a four-spin system with the topology of the basic dendrimer block are presented.
AB - The small matrix decomposition of the path integral (SMatPI) is employed to devise expressions for the quantum mechanical amplitude of forward-backward paths in the path integral formulation. The amplitude is expressed as a sum of small matrix products, whose size is equal to that of the system's reduced density matrix, allowing the treatment of composite systems consisting of interacting subunits without the large storage requirements of the full amplitude tensor. Representative applications on a four-spin system with the topology of the basic dendrimer block are presented.
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U2 - 10.1021/acs.jctc.1c00339
DO - 10.1021/acs.jctc.1c00339
M3 - Article
C2 - 34080434
AN - SCOPUS:85107829634
SN - 1549-9618
VL - 17
SP - 3825
EP - 3829
JO - Journal of Chemical Theory and Computation
JF - Journal of Chemical Theory and Computation
IS - 7
ER -