Table 2: Electronic excitation energy and faccur dipole value from accurate wavefunctions, and fBorn dipole value from FBA.
|
State |
21P |
31P |
41P |
51P |
|
Eexc (eV) |
21.21 |
23.08 |
23.74 |
24.04 |
|
faccur |
0.27 |
0.07 |
0.02 |
0.01 |
|
fFBA |
0.25 |
0.07 |
0.02 |
0.01 |
|
23 |
0.07682 |
|
|
|
|
24 |
0.09789 |
0.01329 |
|
|
|
25 |
0.11585 |
0.01961 |
0.00624 |
0.00268 |
|
30 |
0.18285 |
0.03921 |
0.01467 |
0.0071 |
|
40 |
0.26178 |
0.06058 |
0.0234 |
0.01153 |
|
50 |
0.30357 |
0.07181 |
0.028 |
0.01385 |
|
60 |
0.32603 |
0.07787 |
0.0305 |
0.0151 |
|
70 |
0.33703 |
0.08103 |
0.03187 |
0.01578 |
|
80 |
0.34142 |
0.08241 |
0.03247 |
0.01607 |
|
100 |
0.33928 |
0.08231 |
0.03248 |
0.01612 |
|
110 |
0.33546 |
0.0815 |
0.03216 |
0.01596 |
|
120 |
0.33053 |
0.08043 |
0.03171 |
0.01577 |
|
130 |
0.32507 |
0.07916 |
0.03125 |
0.01555 |
|
140 |
0.31914 |
0.07781 |
0.03075 |
0.0153 |
|
150 |
0.31307 |
0.07254 |
0.03021 |
0.01501 |
|
200 |
0.28346 |
0.06932 |
0.02742 |
0.01365 |