(1s 2 2s 2 2p 1 4d 1 ) 1 D P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 2.990354 | 1.20396004 |
| 2 | 4d | 2.509195 | -1.73382370 |
| 3 | 3d | 5.971471 | .05391615 |
| 4 | 5d | 8.560819 | -.00718005 |
| 5 | 4d | 32.943120 | .00005926 |
| 6 | 5d | 2.152333 | .00914611 |
| 7 | 3d | 53.851458 | .00000377 |
| ORB.ENERGY,a.u. | -3.237100 | ||
| NORM | .999999 | < R > | 2.017556 | < R2 > | 4.660325 | < 1/R > | .657272 | < 1/R**2 > | .711767 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.145028 | 1.08477999 |
| 2 | 3p | 7.514670 | -.10143041 |
| 3 | 2p | 14.843739 | .01501834 |
| 4 | 5p | 18.209083 | .00291248 |
| 5 | 4p | 32.878648 | -.00014979 |
| 6 | 5p | 3.703812 | -.00098461 |
| 7 | 4p | 5.251997 | .00384173 |
| ORB.ENERGY,a.u. | -16.994000 | ||
| NORM | 1.000000 | < R > | .397561 | < R2 > | .191348 | < 1/R > | 3.180469 | < 1/R**2 > | 13.694926 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.950849 | .37247148 |
| 2 | 2s | 5.658492 | -.80870467 |
| 3 | 3s | 8.194908 | -.28161447 |
| 4 | 4s | 28.277629 | .00120694 |
| 5 | 5s | 16.087200 | -.01127791 |
| 6 | 5s | 6.264380 | .01710081 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456904 | < R2 > | .244305 | < 1/R > | 3.209302 | < 1/R**2 > | 41.662781 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.165771 | .93102180 |
| 2 | 1s | 21.893471 | .06858782 |
| 3 | 2s | 13.062826 | .01917503 |
| 4 | 3s | 16.070042 | -.01652604 |
| 5 | 4s | 73.814674 | -.00006468 |
| 6 | 5s | 34.558684 | .00078589 |
| 7 | 4s | 8.037216 | .00008710 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102967 | < R2 > | .014203 | < 1/R > | 14.648427 | < 1/R**2 > | 432.018460 |
Total Energy= -279.30624087 a.u.
Kinetic Energy= 279.33226353 a.u.
Potential Energy= -558.63850440 a.u.
Virial Ratio = -1.99990684