(1s 2 2s 2 2p 4 5d 1 ) 2 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | .475451 | 1.93856052 |
| 2 | 4d | .417696 | -5.23388759 |
| 3 | 5d | .392454 | 4.12389734 |
| 4 | 3d | 3.278793 | .00510439 |
| 5 | 4d | .259440 | -.17729503 |
| 6 | 5d | 2.727060 | .00242174 |
| 7 | 5d | .256943 | .06080932 |
| 8 | 3d | 7.876802 | .00004286 |
| ORB.ENERGY,a.u. | -.079966 | ||
| NORM | 1.000000 | < R > | 17.232448 | < R2 > | 337.185063 | < 1/R > | .080721 | < 1/R**2 > | .013402 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.644340 | .67008760 |
| 2 | 2p | 4.491901 | .37369635 |
| 3 | 2p | 11.061164 | .01098870 |
| 4 | 3p | 1.921419 | .03453208 |
| 5 | 4p | 6.590102 | -.02917187 |
| 6 | 4p | 1.888674 | -.00866865 |
| 7 | 5p | 22.970104 | -.00017378 |
| ORB.ENERGY,a.u. | -2.160500 | ||
| NORM | 1.000000 | < R > | .804528 | < R2 > | .812412 | < 1/R > | 1.638725 | < 1/R**2 > | 3.810861 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.311533 | .31832348 |
| 2 | 2s | 3.739063 | -.82632144 |
| 3 | 3s | 3.010109 | -.30176292 |
| 4 | 4s | 12.794650 | .01224522 |
| 5 | 3s | 14.540876 | .00427927 |
| 6 | 5s | 26.688701 | .00032851 |
| 7 | 5s | 2.086698 | -.02541558 |
| 8 | 4s | 1.874470 | .03139917 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828251 | < R2 > | .818516 | < 1/R > | 1.746673 | < 1/R**2 > | 12.537910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241230 | .89778651 |
| 2 | 1s | 13.941494 | .09916581 |
| 3 | 1s | 9.001193 | .00042592 |
| 4 | 2s | 6.905668 | .01556508 |
| 5 | 3s | 10.767644 | -.00729569 |
| 6 | 4s | 18.613326 | .00283293 |
| 7 | 5s | 61.014136 | -.00003584 |
| 8 | 5s | 5.218931 | .00052410 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157455 | < R2 > | .033372 | < 1/R > | 9.624144 | < 1/R**2 > | 187.372743 |
Total Energy= -126.45368440 a.u.
Kinetic Energy= 126.45207901 a.u.
Potential Energy= -252.90576340 a.u.
Virial Ratio = -2.00001270