Excited State

Singlet-A

Eigenvectors

Transition

ΔE eV

λcalc. nm

f

λexp. nm

Excited State 1

54 → 57

56 → 57

56 → 59

56 → 60

−0.22953

0.60334

0.11187

0.10821

ψm−2 → ψm+1

ψm → ψm+1

ψm→ ψm+3

ψm→ ψm+4

5.0675

245 nm

0.0843

263 nm

Excited State 2

54 → 57

55 → 57

55 → 60

55 → 61

56 → 58

56 → 59

−0.14064

−0.45550

0.10498

−0.10824

0.47239

0.10670

ψm−2 → ψm+1

ψm−1 → ψm+1

ψm−1 → ψm+4

ψm−1 → ψm+5

ψm → ψm+2

ψm→ ψm+3

5.1952

238.65 nm

0.0016

231 nm

Excited State 3

54 → 57

54 → 59

54 → 60

56 → 57

56 → 58

0.56731

0.15448

0.13998

0.26587

0.12041

ψm−2 → ψm+1

ψm−2 → ψm+3

ψm−2 → ψm+4

ψm → ψm+1

ψm → ψm+2

5.3933

229.89

0.0177