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(3) Orbital expansion: Au(d) statesRelativisticcorrection (%)2010( E − E )RELAENRELANRELA5d 3/2 5d 5/24f 5/2 4f 7/2κ=3 κ=-43d 3/2 3d 5/2 4d 3/2 4d 5/2κ=2 κ=-30-10-20r 2 ρ (e/bohr)43Non relativistic (l=2)Relativistic (κ=2)Relativistic (κ=-3)r 2 ρ (e/bohr)0.40.3Non relativistic (l=2)Relativistic (κ=2)Relativistic (κ=-3)-3020.2-401Au 3d00.0 0.1 0.2 0.3r (bohr)0.40.10.0Au 5d0 1 2 3r (bohr)Orbitalexpansion4
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