Excited-State Composition Energy Oscillator System (eV) Strength Percentage of Involved Orbitals Contribution Cys 4.09 0.0248 37% H-4 (Se 4p) L+1 — 4.24 0.0216 26% H-5 (Se 4p) L+2 — 21% H-6 (Se 4p) L+3 — 4.30 0.0384 25% H-2 (Se 4p) L+6 (Cd 4p, Se 4p, 5s) — MPA 2.86 0.0673 96% H-2 (Se 4p) L (Cd 5s, Se 5s) — 3.38 0.1362 85% H-5 (Se 4p) L — 3.38 0.1362 85% H-6 (Se 4p) L — 3.99 0.0522 29% H-10 (Se 4p) L — 21% H-1 (Se 4p) L+2 (Cd 5s, 4p, Se 5s, 4p) — 21% H (Se 4p) L+3 (Cd 5s, 4p, Se 5s, 4p) — 4.15 0.0214 41% H-4 (Se 4p) L+2 — H-3 (Se 4p) L+2 41% —
System Energy (eV) Oscillator Strength Excited-State Composition Percentage of Contribution Involved Orbitals Cys 4.09 0.0248 37% H-4 (Se 4p) — L+1 4.24 0.0216 26% H-5 (Se 4p) — L+2 21% H-6 (Se 4p) — L+3 4.30 0.0384 25% H-2 (Se 4p) — L+6 (Cd 4p, Se 4p, 5s) MPA 2.86 0.0673 96% H-2 (Se 4p) — L (Cd 5s, Se 5s) 3.38 0.1362 85% H-5 (Se 4p) — L 3.38 0.1362 85% H-6 (Se 4p) — L 3.99 0.0522 29% H-10 (Se 4p) — L 21% H-1 (Se 4p) — L+2 (Cd 5s, 4p, Se 5s, 4p) 21% H (Se 4p) — L+3 (Cd 5s, 4p, Se 5s, 4p) 4.15 0.0214 41% H-4 (Se 4p) — L+2 41% H-3 (Se 4p) — L+2
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