(1s 2 2s 2 ) 3 S Ne 6+
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 | 8.615832 | .35328946 |
| 2 | 2s | 3.780630 | -.76232118 |
| 3 | 3s | 4.838778 | -.28742871 |
| 4 | 5s | 9.018285 | -.02760471 |
| 5 | 4s | 17.813903 | .00229192 |
| 6 | 5s | 11.965972 | -.00692033 |
| 7 | 2s | 28.111341 | -.00005922 |
| ORB.ENERGY,a.u. | -7.489600 | ||
| NORM | 1.000000 | < R > | .711776 | < R2 > | .592533 | < 1/R > | 2.040550 | < 1/R**2 > | 16.787429 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.172150 | .87952625 |
| 2 | 1s | 13.826910 | .11857563 |
| 3 | 2s | 8.280966 | .02739491 |
| 4 | 3s | 10.848240 | -.02349210 |
| 5 | 4s | 18.911240 | .00600196 |
| 6 | 5s | 10.460896 | -.00373812 |
| 7 | 5s | 24.267327 | -.00082534 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156175 | < R2 > | .032704 | < 1/R > | 9.673048 | < 1/R**2 > | 188.833255 |
Total Energy= -110.11101280 a.u.
Kinetic Energy= 110.11100973 a.u.
Potential Energy= -220.22202253 a.u.
Virial Ratio = -2.00000003