(1s 1 3d 1 ) 3 D Ne 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 3.029169 | .96808684 |
| 2 | 3d | 10.894694 | .00060422 |
| 3 | 4d | 3.009730 | .03368797 |
| 4 | 5d | 8.463323 | .00039302 |
| ORB.ENERGY,a.u. | -4.569500 | ||
| NORM | 1.000000 | < R > | 1.165709 | < R2 > | 1.553265 | < 1/R > | 1.001127 | < 1/R**2 > | 1.203430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.842768 | .75699924 |
| 2 | 1s | 10.102247 | .25676831 |
| 3 | 2s | 9.979379 | -.01558604 |
| 4 | 3s | 10.189122 | -.00038379 |
| 5 | 4s | 7.599731 | .00016970 |
| ORB.ENERGY,a.u. | -49.014000 |
| NORM | 1.000000 | < R > | .150022 | < R2 > | .030012 | < 1/R > | 9.999185 | < 1/R**2 > | 199.975932 |
Total Energy= -54.51565601 a.u.
Kinetic Energy= 54.50201161 a.u.
Potential Energy= -109.01766763 a.u.
Virial Ratio = -2.00025035