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Brianna Aguilar-Solis

Publications and source records attributed to Brianna Aguilar-Solis.

2 recordsLinked to original sources

Capturing thermal effects beyond the zero-temperature approximation using the uniform electron gas

Density functional theory at finite temperatures often relies on the zero-temperature approximation, which uses a ground-state exchange-correlation functional with thermalized densities. This approach, however, neglects the explicit temperature dependence of the exchange-correlation free energy -- a key factor in regimes such as warm dense matter, where both electronic and thermal effects are significant. In this work, we introduce the entropy-corrected zero-temperature approach, in which the exchange-correlation entropy is extracted using the generalized thermal adiabatic connection formula to construct a thermal correction to the standard zero-temperature approximation. Using a uniform electron gas parametrization, we compare this approach to the finite-temperature adiabatic connection and demonstrate that it performs best at lower densities. This provides a useful complement to zero-temperature density functional approximations, which generally perform better at moderate-to-large densities. We further identify a density-dependent intersection between the adiabatic connection curves, revealing a dependence on the ground state correlation energy and correlation potential. Additionally, extension of the entropy corrected approach applied as a local density approximation--like temperature correction to the zero temperature approximation is discussed.

cond-mat.other↗

Correlation function metrology for warm dense matter: Recent developments and practical guidelines

X-ray Thomson scattering (XRTS) has emerged as a valuable diagnostic for matter under extreme conditions, as it captures the intricate many-body physics of the probed sample. Recent advances, such as the model-free temperature diagnostic of Dornheim et al. [Nat.Commun. 13, 7911 (2022)], have demonstrated how much information can be extracted directly within the imaginary-time formalism. However, since the imaginary-time formalism is a concept often difficult to grasp, we provide here a systematic overview of its theoretical foundations and explicitly demonstrate its practical applications to temperature inference, including relevant subtleties. Furthermore, we present recent developments that enable the determination of the absolute normalization, Rayleigh weight, and density from XRTS measurements without reliance on uncontrolled model assumptions. Finally, we outline a unified workflow that guides the extraction of these key observables, offering a practical framework for applying the method to interpret experimental measurements.

physics.plasm-ph↗