Excited-State Composition Energy Oscillator System (eV) Strength Percentage of Involved Orbitals Contribution SHCH2COOH 4.15 0.0366 26% H-3 L+1 (Cd 5s, Se 5s, 4p) — 25% H-4 L+3 — 24% H-3 L+2 — 4.15 0.0366 26% H-4 L+1 — 24% H-4 L+2 — 24% H-3 L+3 — 4.34 0.0254 31% H-6 (Se 4p) L+1 — 18% H-2 L+4 (Cd 5s, 4p, Se 5s, 4p) — 4.34 0.0254 31% H-5 (Se 4p) L+1 — 18% H-2 L+5 (Cd 5s, 4p, Se 5s, 4p) — 4.44 0.0259 59% H-12 (Se 4p) L —
System Energy (eV) Oscillator Strength Excited-State Composition Percentage of Contribution Involved Orbitals SHCH2COOH 4.15 0.0366 26% H-3 — L+1 (Cd 5s, Se 5s, 4p) 25% H-4 — L+3 24% H-3 — L+2 4.15 0.0366 26% H-4 — L+1 24% H-4 — L+2 24% H-3 — L+3 4.34 0.0254 31% H-6 (Se 4p) — L+1 18% H-2 — L+4 (Cd 5s, 4p, Se 5s, 4p) 4.34 0.0254 31% H-5 (Se 4p) — L+1 18% H-2 — L+5 (Cd 5s, 4p, Se 5s, 4p) 4.44 0.0259 59% H-12 (Se 4p) — L
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