Excited-State Composition Energy Oscillator System (eV) Strength Percentage of Involved Orbitals Contribution SHCH(NH2)COOH 2.89 0.0682 96% H (Se 4p) L (Cd 5s, Se 5s) — 3.37 0.0273 64% H-8 (Se 4p) L — 18% H-6 (Se 4p) L — 3.37 0.0274 64% H-9 (Se 4p) L — 18% H-5 (Se 4p) L — 3.40 0.1059 69% H-5 L — 23% H-9 L — 3.40 0.1059 69% H-6 L — 23% H-8 L — 4.08 0.0564 43% H L+6 (Cd 5s, S 3p, C 2s) — 4.15 0.0217 18% H-4 (Se 4p) L+2 (S 3s 3p, C 2s, 2p) — 18% H-3 (Se 4p) L+3 (S 3s 3p, C 2s, 2p) —
System Energy (eV) Oscillator Strength Excited-State Composition Percentage of Contribution Involved Orbitals SHCH(NH2)COOH 2.89 0.0682 96% H (Se 4p) — L (Cd 5s, Se 5s) 3.37 0.0273 64% H-8 (Se 4p) — L 18% H-6 (Se 4p) — L 3.37 0.0274 64% H-9 (Se 4p) — L 18% H-5 (Se 4p) — L 3.40 0.1059 69% H-5 — L 23% H-9 — L 3.40 0.1059 69% H-6 — L 23% H-8 — L 4.08 0.0564 43% H — L+6 (Cd 5s, S 3p, C 2s) 4.15 0.0217 18% H-4 (Se 4p) — L+2 (S 3s 3p, C 2s, 2p) 18% H-3 (Se 4p) — L+3 (S 3s 3p, C 2s, 2p)
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