Excited State

Singlet-A

Eigenvectors

Transition

ΔE eV

λcalc. nm

F

λexp. nm

Excited State 1

38 → 41

38 → 42

38 → 44

0.65683

−0.16373

−0.10939

ψm−2 → ψm+1

ψm−2 → ψm+2

ψm−2 → ψm+4

5.2628

236

0.0001

259

Excited State 2

39 → 41

39 → 42

39 → 44

40 → 41

40 → 44

−0.15524

−0.31449

0.16121

0.50780

0.30508

ψm−1 → ψm+1

ψm−1 → ψm+2

ψm−1 → ψm+4

ψm → ψm+1

ψm → ψm+4

5.3097

234

0.0107

215

Excited State 3

39 → 41

39 → 42

40 → 41

40 → 42

40 → 44

0.13112

0.24926

0.46741

−0.24198

−0.37012

ψm−1 → ψm+1

ψm−1 → ψm+2

ψm → ψm+1

ψm → ψm+2

ψm → ψm+4

5.5265

224

0.0044