(1s 2 4s 1 ) 2 S S 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 10.936664 | .19429926 |
| 2 | 2s | 4.225494 | -1.67672365 |
| 3 | 3s | 3.524658 | 5.27248182 |
| 4 | 4s | 3.526520 | -4.64573185 |
| 5 | 5s | 5.312557 | .29564293 |
| 6 | 4s | 9.563377 | -.09038730 |
| 7 | 5s | 29.079463 | .00152855 |
| 8 | 4s | 39.328343 | .00036905 |
| 9 | 5s | 1.446051 | .00016654 |
| ORB.ENERGY,a.u. | -6.300400 | ||
| NORM | .999999 | < R > | 1.671176 | < R2 > | 3.141739 | < 1/R > | .889421 | < 1/R**2 > | 6.347863 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.412013 | .93826686 |
| 2 | 1s | 24.306670 | .04921089 |
| 3 | 2s | 18.957052 | .01725178 |
| 4 | 3s | 14.175102 | .00053272 |
| 5 | 4s | 51.294488 | -.00064217 |
| 6 | 5s | 60.759869 | .00021523 |
| 7 | 3s | 81.813918 | -.00004150 |
| ORB.ENERGY,a.u. | -117.590000 |
| NORM | 1.000000 | < R > | .096014 | < R2 > | .012329 | < 1/R > | 15.686302 | < 1/R**2 > | 494.738064 |
Total Energy= -252.39647343 a.u.
Kinetic Energy= 252.39646786 a.u.
Potential Energy= -504.79294129 a.u.
Virial Ratio = -2.00000002