(1s 2 2s 2 2p 2 5d 1 ) 2 F P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 2.229840 | 1.68937053 |
| 2 | 4d | 1.936715 | -4.61055338 |
| 3 | 5d | 1.792295 | 3.60206380 |
| 4 | 3d | 5.563859 | .03920523 |
| 5 | 5d | 8.464960 | -.00992048 |
| 6 | 4d | 28.509570 | .00025334 |
| 7 | 5d | 1.320291 | -.00800417 |
| 8 | 5d | 38.244188 | -.00012508 |
| ORB.ENERGY,a.u. | -1.647300 | ||
| NORM | .999997 | < R > | 3.759704 | < R2 > | 16.058774 | < 1/R > | .371551 | < 1/R**2 > | .287058 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.804089 | 1.13503995 |
| 2 | 3p | 6.768706 | -.16225892 |
| 3 | 2p | 14.365645 | .02291892 |
| 4 | 4p | 16.891347 | .00928272 |
| 5 | 5p | 23.803575 | -.00190439 |
| 6 | 5p | 3.722860 | .00018573 |
| 7 | 4p | 63.756263 | .00004447 |
| ORB.ENERGY,a.u. | -15.203000 | ||
| NORM | 1.000000 | < R > | .409427 | < R2 > | .203636 | < 1/R > | 3.100405 | < 1/R**2 > | 13.072900 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.924281 | .41176592 |
| 2 | 2s | 6.450979 | -.85470698 |
| 3 | 3s | 6.632554 | -.28049234 |
| 4 | 4s | 25.187913 | .00222443 |
| 5 | 3s | 14.046851 | .01709564 |
| 6 | 5s | 6.658479 | -.02718543 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467114 | < R2 > | .255839 | < 1/R > | 3.134475 | < 1/R**2 > | 39.891393 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110172 | .92170881 |
| 2 | 1s | 21.588900 | .07719156 |
| 3 | 2s | 13.466449 | .01932318 |
| 4 | 3s | 16.733074 | -.01553592 |
| 5 | 5s | 35.636338 | .00099123 |
| 6 | 4s | 86.768783 | -.00003377 |
| 7 | 5s | 11.530734 | .00052388 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103185 | < R2 > | .014276 | < 1/R > | 14.628527 | < 1/R**2 > | 431.105762 |
Total Energy= -293.35969955 a.u.
Kinetic Energy= 293.34236680 a.u.
Potential Energy= -586.70206636 a.u.
Virial Ratio = -2.00005909