Shock physics in warm dense matter: A quantum hydrodynamics perspective

Graziani, Frank; Moldabekov, Zhandos A.; Olson, Britton J.; Bönitz, M.

doi:10.1002/ctpp.202100170

Cited by 21 publications

(8 citation statements)

References 84 publications

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“…Finally, we note that a consistent static XC kernel is needed for various other applications such as the construction of effective potentials [47,[109][110][111], for quantum hydrodynamics [112][113][114][115][116] and plasmonics [117], and the for computation of the energy loss characteristics of high-energy density plasmas [118][119][120].…”

Section: Discussionmentioning

confidence: 99%

Linear-response time-dependent density functional theory approach to warm dense matter with adiabatic exchange--correlation kernels

Moldabekov¹,

Pavanello²,

Boehme³

et al. 2023

Preprint

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We present a new methodology for the linear-response time-dependent density functional theory (LR-TDDFT) calculation of the dynamic density response function of warm dense matter in an adiabatic approximation that can be used with any available exchange-correlation (XC) functional across Jacob's Ladder and across temperature regimes. The main novelty of the presented approach is that it can go beyond the adiabatic local density approximation (ALDA) and generalized LDA (AGGA) while preserving the self-consistence between the Kohn-Sham (KS) response function and adiabatic XC kernel for extended systems. The key ingredient for the presented method is the combination of the adiabatic XC kernel from the direct perturbation approach with the macroscopic dynamic KS response from the standard LR-TDDFT method using KS orbitals. We demonstrate the application of the method for the example of warm dense hydrogen, for which we perform a detailed analysis of the KS density response function, the RPA result, the total density response function and of the adiabatic XC kernel. The analysis is performed using LDA, GGA, and meta-GGA level approximations for the XC effects. The presented method is directly applicable to disordered systems such as liquid metals, warm dense matter, and dense plasmas.

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Section: Discussionmentioning

confidence: 99%

Linear-response time-dependent density functional theory approach to warm dense matter with adiabatic exchange--correlation kernels

Moldabekov¹,

Pavanello²,

Boehme³

et al. 2023

Preprint

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“…The presence of higher-order spatial derivatives of the density produces a dissipative-like effect on the shock structure, shearing the interface and broadening the shock front. Particularly, the effect of the standard Bohm potential has very recently been assessed in hydrodynamics simulations [44]. As demonstrated in Figs.…”

Section: Discussionmentioning

confidence: 99%

Towards a quantum fluid theory of correlated many-fermion systems from first principles

et al. 2022

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Correlated many-fermion systems emerge in a broad range of phenomena in warm dense matter, plasmonics, and ultracold atoms. Quantum hydrodynamics (QHD) complements first-principles methods for many-fermion systems at larger scales. We illustrate the failure of the standard Bohm potential central to QHD for strong perturbations when the density perturbation is larger than about 10^{-3}10−3 of the mean density. We then extend QHD to this regime via the many-fermion Bohm potential from first-principles. This may lead to more accurate QHD simulations beyond their common application domain in the presence of strong perturbations at scales unattainable with first-principles methods.

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“…On the other hand, the parameter range corresponding to densities r s ≳ 2 and temperatures 0.01 ≲θ < 1 is highly important for numerous applications. Recently, it was shown that the static nonlinear density response functions of the electron gas can be used for the construction of advanced kinetic energy functionals required for orbital-free density functional theory (OF-DFT)-based simulations , with applications at ambient and extreme conditions. , Additionally, nonlinear density response functions can extend quantum fluid models (quantum hydrodynamics and time-dependent OF-DFT) beyond the weak perturbation regime. − Moreover, static nonlinear density response functions are needed for the systematic improvement of effective pair interaction models for WDM − and liquid metals. − Finally, Moldabekov and co-workers , have recently suggested to deliberately probe the nonlinear regime in X-ray Thomson scattering experiments as an improved method for the inference of plasma parameters such as the electronic temperature. However, these applications remain in their infancy since the NLRT of correlated electrons is significantly less developed compared to the LRT .…”

Section: Introductionmentioning

confidence: 99%

Density Functional Theory Perspective on the Nonlinear Response of Correlated Electrons across Temperature Regimes

Moldabekov

Vorberger

Dornheim

2022

J. Chem. Theory Comput.

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We explore a new formalism to study the nonlinear electronic density response based on Kohn–Sham density functional theory (KS-DFT) at partially and strongly quantum degenerate regimes. It is demonstrated that the KS-DFT calculations are able to accurately reproduce the available path integral Monte Carlo simulation results at temperatures relevant for warm dense matter research. The existing analytical results for the quadratic and cubic response functions are rigorously tested. It is demonstrated that the analytical results for the quadratic response function closely agree with the KS-DFT data. Furthermore, the performed analysis reveals that currently available analytical formulas for the cubic response function are not able to describe simulation results, neither qualitatively nor quantitatively, at small wavenumbers q < 2 q F , with q F being the Fermi wavenumber. The results show that KS-DFT can be used to describe warm dense matter that is strongly perturbed by an external field with remarkable accuracy. Furthermore, it is demonstrated that KS-DFT constitutes a valuable tool to guide the development of the nonlinear response theory of correlated quantum electrons from ambient to extreme conditions. This opens up new avenues to study nonlinear effects in a gamut of different contexts at conditions that cannot be accessed with previously used path integral Monte Carlo methods.

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Shock physics in warm dense matter: A quantum hydrodynamics perspective

Cited by 21 publications

References 84 publications

Linear-response time-dependent density functional theory approach to warm dense matter with adiabatic exchange--correlation kernels

Linear-response time-dependent density functional theory approach to warm dense matter with adiabatic exchange--correlation kernels

Towards a quantum fluid theory of correlated many-fermion systems from first principles

Density Functional Theory Perspective on the Nonlinear Response of Correlated Electrons across Temperature Regimes

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