(1s 2 2s 2 ) 1 S Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 8.081864 | .38887497 |
| 2 | 2s | 4.096527 | -.87446623 |
| 3 | 3s | 4.454889 | -.25237732 |
| 4 | 4s | 15.339579 | .01115367 |
| 5 | 5s | 12.709657 | .01325467 |
| 6 | 5s | 4.239146 | -.01505227 |
| 7 | 3s | 14.978984 | .00540034 |
| ORB.ENERGY,a.u. | -7.489600 | ||
| NORM | 1.000000 | < R > | .711776 | < R2 > | .592531 | < 1/R > | 2.040550 | < 1/R**2 > | 16.787435 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.160323 | .87845527 |
| 2 | 1s | 13.710346 | .12161037 |
| 3 | 2s | 7.449207 | .02762790 |
| 4 | 3s | 9.695282 | -.02602184 |
| 5 | 4s | 18.648428 | .00365046 |
| 6 | 5s | 8.975412 | -.00230823 |
| 7 | 5s | 70.002700 | -.00001634 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156175 | < R2 > | .032704 | < 1/R > | 9.673048 | < 1/R**2 > | 188.833300 |
Total Energy= -110.11101305 a.u.
Kinetic Energy= 110.11101427 a.u.
Potential Energy= -220.22202732 a.u.
Virial Ratio = -1.99999999