Excited-State Composition Energy Oscillator System (eV) Strength Percentage of Involved Orbitals Contribution SHCH(NH2)COOH 4.21 0.0205 41% H-5 L+1 (Cd 5s, S 3s 3p, C 2s, 2p) — 4.21 0.0205 41% H-6 L+1 — SHCH2COOH 2.85 0.0649 96% H-2 (Se 4p) L (Cd 5s, Se 5s) — 3.38 0.1219 47% H-6 (Se 4p) L — 40% H-7 (Se 4p) L — 3.38 0.1219 47% H-5 (Se 4p) L — 40% H-8 (Se 4p) L — 3.98 0.047 29% H-10 (Se 4p) L — 19% H-1 (Se 4p) L+2 (Cd 5s, 4p, Se 5s, 4p) — 19% H (Se 4p) L+3 (Cd 5s, 4p, Se 5s, 4p) — 4.10 0.0234 41% H-4 (Se 4p) L+2 — 41% H-3 (Se 4p) L+3 —
System Energy (eV) Oscillator Strength Excited-State Composition Percentage of Contribution Involved Orbitals SHCH(NH2)COOH 4.21 0.0205 41% H-5 — L+1 (Cd 5s, S 3s 3p, C 2s, 2p) 4.21 0.0205 41% H-6 — L+1 SHCH2COOH 2.85 0.0649 96% H-2 (Se 4p) — L (Cd 5s, Se 5s) 3.38 0.1219 47% H-6 (Se 4p) — L 40% H-7 (Se 4p) — L 3.38 0.1219 47% H-5 (Se 4p) — L 40% H-8 (Se 4p) — L 3.98 0.047 29% H-10 (Se 4p) — L 19% H-1 (Se 4p) — L+2 (Cd 5s, 4p, Se 5s, 4p) 19% H (Se 4p) — L+3 (Cd 5s, 4p, Se 5s, 4p) 4.10 0.0234 41% H-4 (Se 4p) — L+2 41% H-3 (Se 4p) — L+3
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