(1s 2 2s 2 2p 2 ) 3 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 3.355761 | .84155107 |
| 2 | 2p | 5.289487 | .17948718 |
| 3 | 2p | 11.135111 | .00874389 |
| 4 | 3p | 5.285110 | -.02083692 |
| 5 | 4p | 3.235164 | .02042636 |
| 6 | 4p | 18.254430 | -.00060372 |
| ORB.ENERGY,a.u. | -4.633200 | ||
| NORM | 1.000000 | < R > | .699676 | < R2 > | .599998 | < 1/R > | 1.834502 | < 1/R**2 > | 4.641653 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.870497 | .31229499 |
| 2 | 2s | 3.357257 | -.78272465 |
| 3 | 3s | 5.416194 | -.26617171 |
| 4 | 4s | 7.298078 | .01556402 |
| 5 | 5s | 4.732416 | -.04074179 |
| 6 | 5s | 16.958057 | .00723214 |
| 7 | 4s | 22.336118 | .00306436 |
| 8 | 3s | 34.708927 | .00014732 |
| 9 | 5s | 2.584809 | -.00053055 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .766653 | < R2 > | .692872 | < 1/R > | 1.887016 | < 1/R**2 > | 14.496418 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.269072 | .89104723 |
| 2 | 1s | 13.736558 | .10398741 |
| 3 | 1s | 2.544840 | .00043578 |
| 4 | 2s | 7.142787 | .01708408 |
| 5 | 3s | 9.934191 | -.00784903 |
| 6 | 4s | 17.742841 | .00337274 |
| 7 | 5s | 8.887172 | -.00071854 |
| 8 | 5s | 29.624412 | .00035891 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156992 | < R2 > | .033125 | < 1/R > | 9.641317 | < 1/R**2 > | 187.880621 |
Total Energy= -120.54356650 a.u.
Kinetic Energy= 120.54356791 a.u.
Potential Energy= -241.08713441 a.u.
Virial Ratio = -1.99999999