Excited state

singlet-A

Eigenvectors

Transition

ΔE eV

λcalc. nm

f

Ex Ip eV

Excited state 1

39− > 40

39− > 41

−0.38190

0.56353

ψm− > ψm+1

ψm− > ψm+2

3.6203

342.47

0.0001

1.264399

Excited state 2

36− > 40

36− > 41

39− > 40

39− > 41

0.63656

0.13159

0.15913

0.13339

ψm−3− > ψm+1

ψm−3− > ψm+2

ψm− > ψm+1

ψm− > ψm+2

3.9108

342.47

0.0001

1.464898

Excited state 3

36− > 40

39− > 40

39− > 41

−0.19827 0.56276

0.35182

ψm−3− > ψm+1

ψm− > ψm+1

ψm− > ψm+2

4.0769

304.11

0.0000

1.44943