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

نویسندگان

چکیده

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

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ژورنال

عنوان ژورنال: Physical review research

سال: 2023

ISSN: ['2643-1564']

DOI: https://doi.org/10.1103/physrevresearch.5.023089