Abstract
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.
Original language | English (US) |
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Pages (from-to) | 3825-3829 |
Number of pages | 5 |
Journal | Journal of Chemical Theory and Computation |
Volume | 17 |
Issue number | 7 |
Early online date | Jun 3 2021 |
DOIs | |
State | Published - Jul 13 2021 |
ASJC Scopus subject areas
- Computer Science Applications
- Physical and Theoretical Chemistry