Excited State

Singlet-A

Eigenvectors

Transition

ΔE eV

λcalc. nm

F

λexp. nm

Excited State 1

38 → 41

38 → 44

40 → 41

40 → 42

40 → 44

0.38938

0.15307

0.49968

0.12154

0.13478

ψm−2 → ψm+1

ψm−2 → ψm+4

ψm → ψm+1

ψm → ψm+2

ψm → ψm+4

5.0799

244

0.0310

257

Excited State 2

38 → 41

39 → 41

39 → 42

39 → 44

40 → 42

40 → 43

40 → 44

0.14958

0.49872

−0.12444

−0.13935

−0.35902

−0.23889

0.10196

ψm−2 → ψm+1

ψm−1 → ψm+1

ψm−1 → ψm+2

ψm−1 → ψm+4

ψm → ψm+2

ψm → ψm+3

ψm → ψm+4

5.3127

233

0.0010

228

Excited State 3

38 → 41

38 → 44

39 → 41

40 → 41

0.46682

0.15992

−0.15381

−0.41663

ψm−2 → ψm+1

ψm−2 → ψm+4

ψm−1 → ψm+1

ψm → ψm+1

5.6450

220

0.0391