(1s 2 2s 2 2p 4 4d 1 ) 2 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | .544027 | 1.61485513 |
| 2 | 4d | .495368 | -2.09044786 |
| 3 | 3d | 2.976338 | .00701712 |
| 4 | 5d | 1.221391 | -.01249270 |
| 5 | 4d | 7.478759 | .00039445 |
| 6 | 5d | 26.661509 | .00001954 |
| ORB.ENERGY,a.u. | -.124800 | ||
| NORM | .999997 | < R > | 10.490815 | < R2 > | 126.001953 | < 1/R > | .126058 | < 1/R**2 > | .025969 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.644944 | .67033415 |
| 2 | 2p | 4.492122 | .37352898 |
| 3 | 2p | 11.068723 | .01096757 |
| 4 | 3p | 1.917440 | .03453093 |
| 5 | 4p | 6.588111 | -.02926808 |
| 6 | 4p | 1.880151 | -.00861401 |
| 7 | 5p | 22.899905 | -.00017116 |
| ORB.ENERGY,a.u. | -2.098400 | ||
| NORM | 1.000000 | < R > | .804536 | < R2 > | .812450 | < 1/R > | 1.638730 | < 1/R**2 > | 3.810905 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.311460 | .31831443 |
| 2 | 2s | 3.738621 | -.82657486 |
| 3 | 3s | 3.008004 | -.30183651 |
| 4 | 4s | 12.789409 | .01224132 |
| 5 | 3s | 14.530765 | .00429298 |
| 6 | 5s | 26.659663 | .00032994 |
| 7 | 5s | 2.099047 | -.02615610 |
| 8 | 4s | 1.887489 | .03240248 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828305 | < R2 > | .818652 | < 1/R > | 1.746592 | < 1/R**2 > | 12.536924 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241228 | .89779982 |
| 2 | 1s | 13.942569 | .09912759 |
| 3 | 1s | 9.020590 | .00046239 |
| 4 | 2s | 6.904811 | .01555574 |
| 5 | 3s | 10.770360 | -.00730058 |
| 6 | 4s | 18.612006 | .00283393 |
| 7 | 5s | 61.025584 | -.00003581 |
| 8 | 5s | 5.216895 | .00052369 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157455 | < R2 > | .033372 | < 1/R > | 9.624143 | < 1/R**2 > | 187.372728 |
Total Energy= -126.49978777 a.u.
Kinetic Energy= 126.49690589 a.u.
Potential Energy= -252.99669366 a.u.
Virial Ratio = -2.00002278