AI RESEARCH
Kohn-Sham Hamiltonian from Effective Field Theory: Quasiparticle Band Narrowing from Frozen Core Dynamics
arXiv CS.LG
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ArXi:2604.25199v1 Announce Type: cross Kohn-Sham (KS) eigenvalues are routinely compared with angle-resolved photoemission (ARPES) and used as input for many-body methods, yet density functional theory (DFT) assigns them no physical meaning. For alkali and alkaline-earth metals, KS bandwidths overestimate ARPES measurements by 20-35%, a discrepancy that persists across all exchange-correlation functionals.