Cluster

State

One-electron

excitation

Composition

E (eV) (λ (nm))

f

(Trp)1 − (H2O)9

S1

76.57%

H → L

4.25 (291.78)

0.0098

15.92%

H → L + 2

S2

49.36%

H → L + 1

4.42 (280.46)

0.0401

28.17%

H → L + 2

S3

50.79%

H → L + 2

4.49 (276.30)

0.0108

42.40%

H®L + 1

S4

57.89%

H − 1 → L

4.70 (263.93)

0.0254

27.24%

H → L + 6

(T rp)2 − (H2O)18

S1

82.11%

H − 1 → L + 1

4.28 (289.72)

0.0129

13.55%

H − 1 → L + 2

S3

89.81%

H → L + 2

4.41 (280.98)

0.0491

3.43%

H − 2 → L + 11

S5

78.07%

H − 1 → L + 1

4.48 (276.78)

0.0429

11.68%

H − 1 → L

S8

49.41%

H − 3 → L

4.67 (265.70)

0.0231

20.70%

H − 1 → L + 9

(T rp)3 − (H2O)27

S1

81.87%

H − 2 → L

4.30 (288.34)

0.0449

4.53%

H − 2 → L + 4

S2

70.52%

H − 1 → L + 1

4.33 (286.52)

0.0500

19.78%

H − 1 → L

S3

55.93%

H → L + 3

4.36 (284.55)

0.0323

19.37%

H → L

S6

62.71%

H → L + 6

4.47 (277.14)

0.0263

14.43%

H → L + 3

S7

52.06%

H − 2 → L + 2

4.48 (276.70)

0.0239

27.18%

H − 2 → L + 5

S15

40.72%

H − 4 → L

4.69 (264.26)

0.0391

18.65%

H − 2 → L + 13

(T rp)4 − (H2O)36

S1

64.34%

H → L + 3

4.12 (300.83)

0.0133

24.66%

H → L + 2

S3

34.85%

H − 1 → L + 4

4.32 (286.69)

0.0203

24.59%

H − 1 → L

S5

89.95%

H − 3 → L

4.39 (282.47)

0.0480

S6

82.94%

H − 2 → L + 1

4.40 (281.78)

0.0711