(1s 1 2s 1 ) 3 S Ne 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 2s- electron | |
| 1 | 1s | 7.980961 | .44995283 |
| 2 | 2s | 4.431027 | -.86849296 |
| 3 | 3s | 5.544791 | -.29018578 |
| 4 | 4s | 13.084230 | .00423785 |
| 5 | 5s | 23.251366 | -.00006723 |
| 6 | 2s | 11.922234 | .00086672 |
| 7 | 5s | 3.785969 | .00071960 |
| ORB.ENERGY,a.u. | -10.750000 | ||
| NORM | 1.000000 | < R > | .635677 | < R2 > | .470692 | < 1/R > | 2.305210 | < 1/R**2 > | 21.026069 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.853760 | .75730989 |
| 2 | 1s | 10.070763 | .25731048 |
| 3 | 2s | 10.385847 | -.01412925 |
| 4 | 3s | 10.412628 | -.00360209 |
| 5 | 4s | 10.229686 | .00136785 |
| 6 | 5s | 19.041624 | -.00045561 |
| 7 | 5s | 8.371142 | -.00006610 |
| ORB.ENERGY,a.u. | -48.250000 |
| NORM | 1.000000 | < R > | .149913 | < R2 > | .029973 | < 1/R > | 10.006782 | < 1/R**2 > | 200.253901 |
Total Energy= -60.57361261 a.u.
Kinetic Energy= 60.66674033 a.u.
Potential Energy= -121.24035294 a.u.
Virial Ratio = -1.99846493