(1s 2 2s 1 ) 2 S Ne 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2020.
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 | 9.541634 | .30724106 |
| 2 | 1s | 17.585641 | .00389165 |
| 3 | 2s | 4.097274 | -1.25545794 |
| 4 | 2s | 7.432434 | .26059146 |
| 5 | 4s | 3.956064 | .01546896 |
| 6 | 3s | 2.358174 | -.00103695 |
| 7 | 3s | 21.031397 | -.00087155 |
| ORB.ENERGY,a.u. | -8.781800 | ||
| NORM | 1.000000 | < R > | .687954 | < R2 > | .551908 | < 1/R > | 2.123668 | < 1/R**2 > | 18.204541 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.290705 | .88719805 |
| 2 | 1s | 13.532694 | .10883219 |
| 3 | 2s | 7.435235 | .01465627 |
| 4 | 3s | 8.454908 | -.00914273 |
| 5 | 4s | 18.842910 | .00377031 |
| 6 | 5s | 3.750858 | .00004188 |
| 7 | 5s | 6.943618 | .00061177 |
| ORB.ENERGY,a.u. | -42.002000 |
| NORM | 1.000000 | < R > | .156127 | < R2 > | .032689 | < 1/R > | 9.676506 | < 1/R**2 > | 188.962172 |
Total Energy= -102.63110938 a.u.
Kinetic Energy= 102.63110787 a.u.
Potential Energy= -205.26221724 a.u.
Virial Ratio = -2.00000001