(1s 1 3s 1 ) 3 S O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.239956 | .31650025 |
| 2 | 2s | 2.765232 | -1.42776716 |
| 3 | 3s | 2.339289 | 1.97470126 |
| 4 | 4s | 3.950038 | -.17912205 |
| 5 | 5s | 7.024029 | -.01901062 |
| 6 | 5s | 1.850733 | -.00229637 |
| 7 | 4s | 27.020898 | -.00005641 |
| ORB.ENERGY,a.u. | -2.867400 | ||
| NORM | 1.000000 | < R > | 1.852595 | < R2 > | 3.896378 | < 1/R > | .793778 | < 1/R**2 > | 3.707417 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.869730 | .75748358 |
| 2 | 1s | 8.101347 | .25627837 |
| 3 | 2s | 8.063638 | -.01480202 |
| 4 | 3s | 9.062991 | -.00104351 |
| 5 | 4s | 9.330569 | .00011313 |
| 6 | 5s | 16.094107 | -.00016799 |
| ORB.ENERGY,a.u. | -31.312000 |
| NORM | 1.000000 | < R > | .187481 | < R2 > | .046872 | < 1/R > | 8.001341 | < 1/R**2 > | 128.043062 |
Total Energy= -34.81937926 a.u.
Kinetic Energy= 34.83796157 a.u.
Potential Energy= -69.65734084 a.u.
Virial Ratio = -1.99946661