Author

V. Yu

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Preprint Jul 2026

The WEST code for large-scale excited-state materials simulations

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, Si-Yuan Chen, Yu-Ming Jin et al. · 2 citations

Preprint Jul 2026

Analytical Forces from the Bethe-Salpeter Equation for Large-Scale Excited-State Relaxation

We present an efficient plane-wave implementation of analytical nuclear forces for electronic excited states described by the Bethe-Salpeter equation (BSE). The formulation combines density-matrix perturbation theory with a Lagrangian approach, and avoids both explicit empty-state summations and the response calculatio...

Yu-Ming Jin, V. Yu, M. Govoni et al. · 2 citations · ⚡1