16 citations · 45 across the 9 of their papers we have counts for
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Resolving Finite-Size Errors in EOM-CCSD Band Gaps of Solids with Interacting-Bath Dynamical Embedding Theory
Jiachen Li, Christopher Hillenbrand, Christian Venturella +2
Periodic equation-of-motion coupled-cluster theory with single and double excitations (EOM-CCSD) has shown promise for quantitative calculations of band structures in solids. Howev…
Energy-Specific Bethe-Salpeter Equation Implementation for Efficient Optical Spectrum Calculations
Christopher Hillenbrand, Jiachen Li, Tianyu Zhu
We present an energy-specific Bethe-Salpeter equation (BSE) implementation for efficient core and valence optical spectrum calculations. In energy-specific BSE, high-lying excitati…
Interacting-bath dynamical embedding for capturing non-local electron correlation in solids
Jiachen Li, Tianyu Zhu
Quantitative simulation of electronic structure of solids requires treating local and non-local electron correlations on an equal footing. We present a new ab initio formulation of…