2 papers
cond-mat.mtrl-sci2026
Efficient Bethe-Salpeter Equation Calculations Based on Numerical Atomic Orbitals and Norm-Conserving Pseudopotentials: Dual--Mesh Strategy
Ziqing Guan, Yu Cao, Min-Ye Zhang +3
We present an efficient implementation of the Bethe--Salpeter equation (BSE) based on numerical atomic orbitals (NAOs) and norm-conserving pseudopotentials within the ABACUS+LibRPA…
cond-mat.mtrl-sci2026
Operando spectro-ptychography reveals dynamical charge-storage and degradation pathways in redox-active electrodes
Xiao Zhao, Yuchen Cao, Evan Z Carlson +13
Electrochemical reactions at buried electrode-electrolyte interfaces govern how redox-active materials store and release energy. However, these reactions are difficult to visualize…