(1s 2 2s 1 5d 1 ) 3 D Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 1.540343 | 2.43953968 |
| 2 | 4d | 1.479289 | -6.10846052 |
| 3 | 5d | 1.410410 | 4.25141586 |
| 4 | 3d | 4.326402 | .02753745 |
| 5 | 4d | 1.027411 | .06643870 |
| 6 | 5d | 3.954585 | .01747594 |
| 7 | 4d | 9.459523 | -.00111009 |
| 8 | 5d | .968024 | -.01203319 |
| ORB.ENERGY,a.u. | -.994740 | ||
| NORM | .999997 | < R > | 4.850400 | < R2 > | 26.690583 | < 1/R > | .285684 | < 1/R**2 > | .166373 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.105307 | .40426242 |
| 2 | 2s | 4.138198 | -.88060332 |
| 3 | 3s | 4.905480 | -.25895095 |
| 4 | 4s | 10.358904 | .03018128 |
| 5 | 3s | 12.081117 | .01377845 |
| 6 | 5s | 10.848165 | -.00903914 |
| 7 | 4s | 4.140806 | -.00747734 |
| 8 | 5s | 24.036212 | .00068568 |
| 9 | 3s | 2.516395 | .00028806 |
| ORB.ENERGY,a.u. | -8.495800 | ||
| NORM | 1.000000 | < R > | .688783 | < R2 > | .553282 | < 1/R > | 2.120698 | < 1/R**2 > | 18.154362 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.168593 | .87502184 |
| 2 | 1s | 13.523497 | .12566265 |
| 3 | 2s | 6.681447 | .02761178 |
| 4 | 3s | 8.340776 | -.02879561 |
| 5 | 4s | 20.790239 | .00284823 |
| 6 | 5s | 10.731402 | .00213386 |
| 7 | 5s | 28.893250 | -.00038035 |
| 8 | 3s | 22.743481 | -.00056220 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156127 | < R2 > | .032689 | < 1/R > | 9.676508 | < 1/R**2 > | 188.962316 |
Total Energy= -103.65386462 a.u.
Kinetic Energy= 103.62574408 a.u.
Potential Energy= -207.27960870 a.u.
Virial Ratio = -2.00027137