(1s 2 2s 2 2p 1 4d 1 ) 1 D F 3+
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 | 1.212012 | 1.13715364 |
| 2 | 4d | 1.022134 | -1.69555009 |
| 3 | 3d | 2.420560 | .10750447 |
| 4 | 5d | 3.608640 | -.02282468 |
| 5 | 4d | 6.918355 | .00251513 |
| 6 | 5d | 16.991108 | .00005125 |
| 7 | 3d | 11.749341 | .00024079 |
| ORB.ENERGY,a.u. | -.527430 | ||
| NORM | 1.000002 | < R > | 4.924272 | < R2 > | 27.849685 | < 1/R > | .272913 | < 1/R**2 > | .126532 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.081306 | .86005395 |
| 2 | 2p | 4.980086 | .14207852 |
| 3 | 2p | 10.356907 | .00812329 |
| 4 | 3p | 1.048043 | -.00116114 |
| 5 | 4p | 2.917534 | .01678152 |
| 6 | 4p | 15.853131 | -.00070018 |
| ORB.ENERGY,a.u. | -3.916900 | ||
| NORM | 1.000000 | < R > | .768592 | < R2 > | .721296 | < 1/R > | 1.662924 | < 1/R**2 > | 3.796799 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.082550 | .30769215 |
| 2 | 2s | 2.896461 | -.78512058 |
| 3 | 3s | 4.680531 | -.27091873 |
| 4 | 4s | 16.369051 | .00245845 |
| 5 | 5s | 9.214971 | -.01699520 |
| 6 | 5s | 3.300762 | .02804258 |
| 7 | 4s | 33.973984 | .00004594 |
| 8 | 4s | 3.030005 | -.00600776 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .844403 | < R2 > | .838463 | < 1/R > | 1.709580 | < 1/R**2 > | 11.843658 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.333836 | .00124548 |
| 2 | 1s | 8.053341 | .85110094 |
| 3 | 1s | 12.612060 | .14433240 |
| 4 | 2s | 11.020763 | .02091802 |
| 5 | 3s | 9.801341 | -.01582698 |
| 6 | 4s | 15.746114 | .00477693 |
| 7 | 5s | 28.668319 | .00028453 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174822 | < R2 > | .041061 | < 1/R > | 8.657739 | < 1/R**2 > | 151.557942 |
Total Energy= -92.64557735 a.u.
Kinetic Energy= 92.65421585 a.u.
Potential Energy= -185.29979320 a.u.
Virial Ratio = -1.99990677