(1s 2 3s 1 ) 2 S Ne 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 7.508690 | .24069271 |
| 2 | 2s | 3.304615 | -1.07254198 |
| 3 | 3s | 2.611809 | 1.76690119 |
| 4 | 4s | 5.036293 | -.21544996 |
| 5 | 5s | 8.864201 | -.03215411 |
| 6 | 4s | 18.224158 | .00226271 |
| 7 | 5s | 2.553032 | -.05564316 |
| 8 | 5s | 54.168292 | .00003779 |
| 9 | 4s | 1.865803 | .00556841 |
| ORB.ENERGY,a.u. | -3.773900 | ||
| NORM | 1.000000 | < R > | 1.593931 | < R2 > | 2.885191 | < 1/R > | .922764 | < 1/R**2 > | 5.132676 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.299259 | .88465809 |
| 2 | 1s | 13.467508 | .11089922 |
| 3 | 2s | 7.831796 | .01406119 |
| 4 | 3s | 8.683538 | -.00872094 |
| 5 | 4s | 18.164090 | .00490881 |
| 6 | 5s | 21.728361 | -.00053633 |
| 7 | 5s | 2.976574 | -.00008788 |
| ORB.ENERGY,a.u. | -43.022000 |
| NORM | 1.000000 | < R > | .155919 | < R2 > | .032580 | < 1/R > | 9.684955 | < 1/R**2 > | 189.230145 |
Total Energy= -97.63110793 a.u.
Kinetic Energy= 97.63110633 a.u.
Potential Energy= -195.26221426 a.u.
Virial Ratio = -2.00000002