Input 12-absorption.04-spectrum.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Electronic sum rule |
9.643850000000000e-01 |
9.643850000000000e-01 |
4.820000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Static polarizability |
1.643849200000000e+01 |
1.643849200000000e+01 |
8.219999999999999e-06 |
0.000000000000000e+00 |
PASS |
| Energy 1 |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 1 |
6.129813600000000e-02 |
6.129813600000000e-02 |
3.060000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Anisotropy 1 |
7.073624000000001e-02 |
7.073623999999999e-02 |
3.540000000000000e-07 |
1.387778780781446e-17 |
PASS |
| Energy 2 |
2.000000000000000e+00 |
2.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 2 |
2.088946300000000e-01 |
2.088946300000000e-01 |
1.040000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Anisotropy 2 |
2.286617600000000e-01 |
2.286617600000000e-01 |
1.140000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Energy 3 |
3.000000000000000e+00 |
3.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 3 |
3.476240300000000e-01 |
3.476240300000000e-01 |
1.740000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Anisotropy 3 |
3.546447600000000e-01 |
3.546447600000000e-01 |
1.770000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Energy 4 |
4.000000000000000e+00 |
4.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 4 |
3.773875100000000e-01 |
3.773875100000000e-01 |
1.890000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Anisotropy 4 |
3.581512100000000e-01 |
3.581512100000000e-01 |
1.790000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Energy 5 |
5.000000000000000e+00 |
5.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 5 |
2.736851900000000e-01 |
2.736851900000000e-01 |
1.370000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Anisotropy 5 |
2.440914200000000e-01 |
2.440914200000000e-01 |
1.220000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Energy 6 |
6.000000000000000e+00 |
6.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 6 |
1.154789700000000e-01 |
1.154789700000000e-01 |
5.770000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Anisotropy 6 |
1.001082900000000e-01 |
1.001082900000000e-01 |
5.010000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Energy 7 |
7.000000000000000e+00 |
7.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 7 |
1.039818300000000e-02 |
1.039818300000000e-02 |
5.200000000000000e-09 |
0.000000000000000e+00 |
PASS |
| Anisotropy 7 |
1.544701900000000e-02 |
1.544701900000000e-02 |
7.720000000000001e-09 |
-1.734723475976807e-18 |
PASS |
| Energy 8 |
8.000000000000000e+00 |
8.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 8 |
-7.102321200000000e-03 |
-7.102321200000000e-03 |
3.550000000000000e-09 |
0.000000000000000e+00 |
PASS |
| Anisotropy 8 |
9.100278300000000e-03 |
9.100278300000000e-03 |
4.550000000000000e-09 |
0.000000000000000e+00 |
PASS |
| Energy 9 |
9.000000000000000e+00 |
9.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 9 |
1.333352200000000e-02 |
1.333352200000000e-02 |
6.670000000000000e-09 |
0.000000000000000e+00 |
PASS |
| Anisotropy 9 |
1.960143700000000e-02 |
1.960143700000000e-02 |
9.800000000000000e-09 |
0.000000000000000e+00 |
PASS |
| Energy 10 |
1.000000000000000e+01 |
1.000000000000000e+01 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 10 |
1.744578700000000e-02 |
1.744578700000000e-02 |
8.720000000000000e-09 |
0.000000000000000e+00 |
PASS |
| Anisotropy 10 |
1.723081000000000e-02 |
1.723081000000000e-02 |
8.620000000000000e-08 |
0.000000000000000e+00 |
PASS |