Mutual Correlation.

ABSTRACT: Quantifying correlation and complexity in quantum many-body states is central to advancing theoretical and computational chemistry, physics, and quantum information science. This work introduces a novel framework, mutual correlation, based on the Frobenius norm squared of the two-body reduced density matrix cumulant. Through systematic partitioning of the cumulant norm, mutual correlation quantifies nonadditive correlations among interacting subsystems. To assess the ability of mutual correlation to identify orbital interactions, we performed benchmark studies on model systems, including H₁₀, N₂, and p-benzyne, and performed a formal and numerical comparison with orbital mutual information. Maximally correlated orbitals, obtained by maximizing a nonlinea

SUBMITTER: Evangelista FA 

PROVIDER: S-EPMC12355695 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature