Accurately predicting excited-state properties of heterogeneous systems remains a central challenge in computational chemistry and materials science. Dielectric-dependent hybrid functionals have achieved notable success for bulk semiconductors and insulators, but their reliance on a scalar macroscopic dielectric consta...
Jia-Wei Zhan, Giulia Galli· Journal of Chemical Theory a...· 2 citations
We present WEST, an open-source plane-wave pseudopotential code for large-scale excited-state materials simulations, and describe its theoretical foundations, software architecture, and capabilities. WEST implements full-frequency GW, quantum defect embedding theory, the Bethe-Salpeter equation, and time-dependent dens...
V. Yu, Siyuan Chen, Yu-Ming Jin et al.· 2 citations
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