(1s 2 5s 1 ) 2 S Ne 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 3.981647 | .19323140 |
| 2 | 2s | 1.755963 | -3.65209000 |
| 3 | 3s | 1.725304 | 12.22012230 |
| 4 | 4s | 1.763413 | -13.44997886 |
| 5 | 5s | 1.602683 | 5.15140873 |
| 6 | 5s | 9.160421 | -.00491898 |
| 7 | 1s | 10.788016 | .02049187 |
| 8 | 4s | 49.306303 | -.00017688 |
| 9 | 4s | .941274 | -.00565684 |
| 10 | 5s | 66.238438 | .00010090 |
| ORB.ENERGY,a.u. | -1.325600 | ||
| NORM | 1.000002 | < R > | 4.530683 | < R2 > | 22.989758 | < 1/R > | .327108 | < 1/R**2 > | 1.071708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.301185 | .88459999 |
| 2 | 1s | 13.461923 | .11097481 |
| 3 | 2s | 7.872887 | .01395962 |
| 4 | 3s | 8.456043 | -.00882774 |
| 5 | 4s | 18.112867 | .00467514 |
| 6 | 5s | 21.064154 | -.00047019 |
| 7 | 5s | 8.184966 | .00029942 |
| ORB.ENERGY,a.u. | -43.577000 |
| NORM | 1.000000 | < R > | .155873 | < R2 > | .032558 | < 1/R > | 9.686981 | < 1/R**2 > | 189.296120 |
Total Energy= -95.18583653 a.u.
Kinetic Energy= 95.18582892 a.u.
Potential Energy= -190.37166546 a.u.
Virial Ratio = -2.00000008