An approximation technique estimates electron-phonon coupling in solid-state defects from excited-state forces computed at the ground-state geometry, benchmarked on three defect systems and shown to bound the accepting-mode Huang-Rhys factor.
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Approximate Excited-State Potential Energy Surfaces for Defects in Solids
An approximation technique estimates electron-phonon coupling in solid-state defects from excited-state forces computed at the ground-state geometry, benchmarked on three defect systems and shown to bound the accepting-mode Huang-Rhys factor.