Modular path integral for discrete systems with non-diagonal couplings.

The modular decomposition of the path integral, which leads to linear scaling with the system length, is extended to Hamiltonians with intermonomer couplings that are not diagonalizable in any single-particle basis. An optimal factorization of the time evolution operator is identified, which minimizes the number of path integral variables while ensuring high accuracy and preservation of detailed balance. The modular path integral decomposition is described, along with a highly efficient tensor factorization of the path linking process. The algorithm is illustrated with applications to a model of coupled spins and a Frenkel exciton chain.

• Publication year

  2019

• Venue

  Journal of Chemical Physics

• Publication date

  2019-08-21

• Fields of study

  Medicine, Physics, Mathematics

• Identifiers
  DOI 10.1063/1.5108692PMID 31438715
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

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