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February 5, 2026Entropy0 citationsOpen Access

Density Functional Theory and Information-Theoretic Diagnostics of Quantum Phase Transitions

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ERE. RomeraÁNÁ. Nagy

Key Points

  • This work aims to explore diagnostics of quantum phase transitions through density functional theory and information-theoretic measures.
  • Utilized density functional theory (DFT) to describe quantum phase transitions (QPTs).
  • Employed information-theoretic measures like fidelity, Fisher information, and Rényi entropy.
  • Analyzed the Dicke model numerically to assess behavior near critical points.
  • Fidelity shows significant curvature or divergence near the critical point (λc).
  • Response of fidelity sharpens with increasing parameters (j).
  • Information measures effectively capture the characteristics of QPTs within the DFT framework.

Abstract

Within density functional theory (DFT), where the density is the fundamental variable, quantum phase transitions (QPTs) can be formulated through a Hamiltonian H^=H⁰+∑iξiAⁱ, such that the control parameters ξi are in bijective correspondence (in the nondegenerate case) with the “densities” ai=⟨Aⁱ⟩, and the functional Q (ai) acts as the Legendre transform of the energy; this structure even permits the use of Rényi entropy (for a given order) as an alternative control parameter, while degeneracy can be handled via a subspace density. On this foundation, information-theoretic measures provide sensitive diagnostics of criticality: fidelity and its susceptibility χ, Fisher information, relative Rényi entropy, and the Kullback–Leibler divergence are locally linked by Rq≈qIKL≈2qχ (δλ) 2, revealing their proportionality in the small-parameter-shift regime. Applied to the Dicke model, numerical analyses show that fidelity exhibits pronounced curvature or divergence near λc=ωω0/2 and that the response sharpens with increasing j, corroborating that these information measures capture QPTs with precision within the DFT framework.

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Cite This Study

Romera et al. (2026) studied this question.

synapsesocial.com/papers/698434cff1d9ada3c1fb35bbhttps://doi.org/10.3390/e28020170
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