(1s 1 3s 1 ) 3 S S 14+
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 | 9.476469 | .39519335 |
| 2 | 2s | 5.171490 | -2.14261158 |
| 3 | 3s | 5.027919 | 2.58953373 |
| 4 | 4s | 8.122929 | -.11219082 |
| 5 | 5s | 14.273513 | -.00971593 |
| 6 | 4s | 49.698864 | -.00003593 |
| 7 | 5s | 3.265495 | -.00024151 |
| ORB.ENERGY,a.u. | -13.232000 | ||
| NORM | 1.000000 | < R > | .882696 | < R2 > | .884713 | < 1/R > | 1.682630 | < 1/R**2 > | 16.842186 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.767120 | .88932771 |
| 2 | 1s | 18.425260 | .10530856 |
| 3 | 2s | 16.928847 | .01063868 |
| 4 | 3s | 16.796522 | -.00516027 |
| 5 | 4s | 43.477444 | .00001910 |
| 6 | 5s | 20.798546 | .00037612 |
| ORB.ENERGY,a.u. | -127.010000 |
| NORM | 1.000000 | < R > | .093746 | < R2 > | .011719 | < 1/R > | 16.001417 | < 1/R**2 > | 512.092963 |
Total Energy= -140.71305967 a.u.
Kinetic Energy= 140.75468191 a.u.
Potential Energy= -281.46774158 a.u.
Virial Ratio = -1.99970429