(1s 1 5s 1 ) 1 S Na 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 1.318129 | 1.13376026 |
| 2 | 2s | 2.602668 | -3.29947254 |
| 3 | 3s | 2.304416 | 7.83639998 |
| 4 | 4s | 1.893810 | -18.30496535 |
| 5 | 5s | 1.983623 | 13.34227007 |
| 6 | 2s | 7.129561 | .04753201 |
| 7 | 5s | 23.186284 | .00039707 |
| 8 | 2s | 15.167297 | .00087071 |
| 9 | 3s | 13.588982 | .00291270 |
| ORB.ENERGY,a.u. | -2.125200 | ||
| NORM | .999997 | < R > | 3.699394 | < R2 > | 15.334867 | < 1/R > | .380058 | < 1/R**2 > | .730255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.003758 | 1.00164373 |
| 2 | 2s | .927078 | .27627732 |
| 3 | 3s | 4.805269 | -.05421073 |
| 4 | 4s | 6.010590 | .02011011 |
| 5 | 5s | 2.573555 | -.17924942 |
| 6 | 4s | 1.134912 | -.10289411 |
| 7 | 5s | 19.674422 | -.00008563 |
| ORB.ENERGY,a.u. | -60.205000 |
| NORM | 1.000000 | < R > | .139186 | < R2 > | .039263 | < 1/R > | 11.022561 | < 1/R**2 > | 242.887980 |
Total Energy= -62.53259724 a.u.
Kinetic Energy= 62.52581037 a.u.
Potential Energy= -125.05840761 a.u.
Virial Ratio = -2.00010855