(1s 1 3s 1 ) 3 S P 13+
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 | 8.970083 | .38775218 |
| 2 | 2s | 4.869103 | -2.08052629 |
| 3 | 3s | 4.694365 | 2.53554965 |
| 4 | 4s | 7.600319 | -.11670895 |
| 5 | 5s | 13.357214 | -.01048145 |
| 6 | 4s | 46.748278 | -.00003642 |
| 7 | 5s | 2.955068 | -.00021154 |
| ORB.ENERGY,a.u. | -11.495000 | ||
| NORM | 1.000000 | < R > | .944478 | < R2 > | 1.012877 | < 1/R > | 1.571521 | < 1/R**2 > | 14.681777 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.762331 | .88929963 |
| 2 | 1s | 17.425421 | .10532723 |
| 3 | 2s | 16.314255 | .01063805 |
| 4 | 3s | 15.720117 | -.00517863 |
| 5 | 4s | 40.274350 | .00002038 |
| 6 | 5s | 19.499331 | .00041340 |
| ORB.ENERGY,a.u. | -111.490000 |
| NORM | 1.000000 | < R > | .099995 | < R2 > | .013333 | < 1/R > | 15.001412 | < 1/R**2 > | 450.086738 |
Total Energy= -123.58744596 a.u.
Kinetic Energy= 123.62618639 a.u.
Potential Energy= -247.21363235 a.u.
Virial Ratio = -1.99968663