Quantum Information Perspective on the Ground State Problem: What is Electron Correlation?

IQOQI Quantum Seminar

Understanding strongly interacting electrons remains a central challenge in modern quantum physics. Addressing this electron correlation problem requires harnessing both the pairwise interactions and their spatial decay. Adopting a quantum information perspective, we uncover two distinct notions of correlation and entanglement arising from the structure of realistic Hamiltonians. The first focuses on correlations between orbitals, while the second captures a more particle-centric perspective. We introduce measures to quantify these concepts and illustrate their implications for various molecular systems. Intriguingly, our findings suggest that correlations between orbitals are predominantly classical, prompting a reexamination of the role of entanglement in chemical bonding. Finally, we propose a promising connection between orbital and particle correlation, offering a potential replacement for the traditionally vague concepts of static and dynamic correlation.

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