(1s 2 2s 2 4d 1 ) 2 D Ne 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 1.761854 | 1.26398272 |
| 2 | 4d | 1.498970 | -1.78459582 |
| 3 | 3d | 3.760328 | .04761987 |
| 4 | 5d | 5.377171 | -.00776478 |
| 5 | 4d | 23.786093 | .00006416 |
| 6 | 5d | 1.297381 | .00924094 |
| ORB.ENERGY,a.u. | -1.155300 | ||
| NORM | .999999 | < R > | 3.388270 | < R2 > | 13.155221 | < 1/R > | .392188 | < 1/R**2 > | .253791 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.529949 | .35782093 |
| 2 | 2s | 3.871052 | -.77108157 |
| 3 | 3s | 5.194968 | -.29375640 |
| 4 | 4s | 15.931347 | .00353992 |
| 5 | 5s | 4.856488 | -.04434986 |
| 6 | 3s | 10.107835 | .01636670 |
| ORB.ENERGY,a.u. | -7.084300 | ||
| NORM | 1.000000 | < R > | .713347 | < R2 > | .595370 | < 1/R > | 2.035962 | < 1/R**2 > | 16.716390 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.287470 | .88735304 |
| 2 | 1s | 13.565761 | .10833778 |
| 3 | 2s | 7.616586 | .01478945 |
| 4 | 3s | 8.715444 | -.00856675 |
| 5 | 4s | 19.105691 | .00379629 |
| 6 | 5s | 12.428167 | -.00004795 |
| ORB.ENERGY,a.u. | -39.985000 |
| NORM | 1.000000 | < R > | .156176 | < R2 > | .032705 | < 1/R > | 9.673040 | < 1/R**2 > | 188.833417 |
Total Energy= -111.26883418 a.u.
Kinetic Energy= 111.26623766 a.u.
Potential Energy= -222.53507184 a.u.
Virial Ratio = -2.00002334