30 citations · 126 across the 15 of their papers we have counts for
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Non-empirical mixing coefficient for hybrid XC functionals from analysis of the XC kernel
Zhandos A. Moldabekov, Mani Lokamani, Jan Vorberger +2
We present an analysis of the static exchange-correlation (XC) kernel computed from hybrid functionals with a single mixing coefficient such as PBE0 and PBE0-1/3. We break down the…
Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons
Zhandos A. Moldabekov, Mani Lokamani, Jan Vorberger +2
We assess the accuracy of common hybrid exchange-correlation (XC) functionals (PBE0, PBE0-1/3, HSE06, HSE03, and B3LYP) within Kohn-Sham density functional theory (KS-DFT) for the…
Impact of Electronic Correlations on High-Pressure Iron: Insights from Time-Dependent Density Functional Theory
Kushal Ramakrishna, Mani Lokamani, Andrew Baczewski +2
We present a comprehensive investigation of the electrical and thermal conductivity of iron under high pressures at ambient temperature, employing the real-time formulation of time…
Electrical Conductivity of Iron in Earth's Core from Microscopic Ohm's Law
Kushal Ramakrishna, Mani Lokamani, Andrew Baczewski +2
Understanding the electronic transport properties of iron under high temperatures and pressures is essential for constraining geophysical processes. The difficulty of reliably meas…