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Deep Learning GW Quasiparticle Hamiltonians for Many-Body Excited-State Electronic Structure at Scale

Gong, Xiaoxun et al.
arXiv (All) · Papers
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computational-physicsmaterials-sciencemesoscale-and-nanoscale-physics
Accurate quasiparticle electronic structures are the foundation for understanding excited-state properties of materials and explaining optoelectronic, quantum, and transport phenomena. First-principles GW calculations nevertheless remain computationally intensive for large or configurationally compl
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