Table 1 |
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|
Excited States of H2O |
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| State Designation |
Excitation Energy (eV) |
State Number |
|
|
||
| (010) |
0.198 |
1 |
| (100)+(001) |
0.453 |
2 |
 B1 |
7.14 |
3 |
 B1 |
7.49 |
4 |
| 3A2 |
8.90 |
5 |
| 1A2 |
9.20 |
6 |
 A1 |
9.46 |
7 |
 A1 |
9.73 |
8 |
 A1 |
9.82 |
9 |
 B1+ B1 |
9.98 |
10 |
 A1 |
10.12 |
11 |
| B1(100)+3B1 |
10.35 |
12 |
| 1B1+A1(100) |
10.55 |
13 |
| 3A2 |
10.70 |
14 |
| A1(110)+ B1(200) |
10.77 |
15 |
| 1A2 |
10.84 |
16 |
 B1+ B1+A1(200) |
10.97 |
17 |
| 3B2+1B2+3B2 |
11.10 |
18 |
| 3A1+1A2+1A1+3A2+1B1+3B1 |
11.23 |
19 |
| 1B1+3B1+3A1+1A1 |
11.35 |
20 |
| 1B2+3B2+3B1+1B1 |
11.50 |
21 |
| 3A2+1A2 |
11.61 |
22 |
| 3B1 |
11.68 |
23 |
| 1B1 |
11.75 |
24 |
| 3A1+1A1 |
11.80 |
25 |
| 1A1+ 3B1+1B1 |
11.90 |
26 |
| 1A1 |
12.06 |
27 |
|
|
||
|
Table of the excitation energies (eV) for the excited states in water that we have considered in our calculations. The listed state numbers are also relevant to the data in figure 1. |
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|
Thorn et al. PMC Physics B 2009 2:1 doi:10.1186/1754-0429-2-1 |
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