(1s 2 2s 2 2p 2 5d 1 ) 2 P P 8+
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 | 2.320521 | 1.47168409 |
| 2 | 4d | 1.978302 | -4.07768682 |
| 3 | 5d | 1.798695 | 3.26614762 |
| 4 | 3d | 5.354087 | .05606581 |
| 5 | 5d | 8.319736 | -.01073766 |
| 6 | 4d | 29.819253 | .00021147 |
| 7 | 5d | 1.291423 | -.00817405 |
| 8 | 5d | 40.075998 | -.00010275 |
| ORB.ENERGY,a.u. | -1.666500 | ||
| NORM | 1.000002 | < R > | 3.715893 | < R2 > | 15.681169 | < 1/R > | .375982 | < 1/R**2 > | .296075 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.816023 | 1.15182388 |
| 2 | 3p | 6.908003 | -.17334531 |
| 3 | 2p | 14.254652 | .02084338 |
| 4 | 4p | 15.584204 | .00476587 |
| 5 | 5p | 32.830651 | -.00027764 |
| 6 | 5p | 4.528089 | .00040560 |
| 7 | 4p | 5.402590 | -.00266115 |
| ORB.ENERGY,a.u. | -15.222000 | ||
| NORM | 1.000000 | < R > | .409556 | < R2 > | .203755 | < 1/R > | 3.099451 | < 1/R**2 > | 13.065400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.924334 | .41175842 |
| 2 | 2s | 6.450880 | -.85470558 |
| 3 | 3s | 6.632091 | -.28049673 |
| 4 | 4s | 25.188232 | .00222826 |
| 5 | 3s | 14.046741 | .01707547 |
| 6 | 5s | 6.659309 | -.02715508 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467116 | < R2 > | .255841 | < 1/R > | 3.134447 | < 1/R**2 > | 39.890564 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110172 | .92170747 |
| 2 | 1s | 21.588892 | .07719336 |
| 3 | 2s | 13.467538 | .01932169 |
| 4 | 3s | 16.732605 | -.01553604 |
| 5 | 5s | 35.637868 | .00099089 |
| 6 | 4s | 86.745555 | -.00003377 |
| 7 | 5s | 11.533866 | .00052494 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103184 | < R2 > | .014276 | < 1/R > | 14.628556 | < 1/R**2 > | 431.107127 |
Total Energy= -293.36001644 a.u.
Kinetic Energy= 293.36159526 a.u.
Potential Energy= -586.72161170 a.u.
Virial Ratio = -1.99999462