(1s 2 2s 2 2p 1 4d 1 ) 3 F P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 3.065054 | 1.13184680 |
| 2 | 4d | 2.485242 | -1.64958314 |
| 3 | 3d | 6.472968 | .03938898 |
| 4 | 5d | 16.695428 | -.00073136 |
| 5 | 4d | 14.661120 | .00074776 |
| 6 | 5d | 2.003918 | .03224659 |
| 7 | 3d | 1.464890 | -.02209268 |
| 8 | 5d | 14.179297 | .00195534 |
| 9 | 3d | 20.912595 | .00012868 |
| ORB.ENERGY,a.u. | -3.234800 | ||
| NORM | 1.000000 | < R > | 2.017666 | < R2 > | 4.660644 | < 1/R > | .657701 | < 1/R**2 > | .714729 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.158078 | 1.07987974 |
| 2 | 3p | 7.583637 | -.09782658 |
| 3 | 2p | 14.932198 | .01467932 |
| 4 | 5p | 18.311025 | .00332966 |
| 5 | 5p | 3.599015 | -.00164446 |
| 6 | 4p | 5.676533 | .00574335 |
| 7 | 5p | 47.648779 | -.00004622 |
| ORB.ENERGY,a.u. | -16.992000 | ||
| NORM | 1.000000 | < R > | .397620 | < R2 > | .191374 | < 1/R > | 3.179862 | < 1/R**2 > | 13.690112 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.945908 | .37268213 |
| 2 | 2s | 5.664417 | -.80832375 |
| 3 | 3s | 8.195466 | -.28189082 |
| 4 | 4s | 28.121681 | .00129291 |
| 5 | 5s | 16.049260 | -.01091289 |
| 6 | 5s | 6.229653 | .01619472 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456904 | < R2 > | .244305 | < 1/R > | 3.209291 | < 1/R**2 > | 41.662446 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.165879 | .93087213 |
| 2 | 1s | 21.878733 | .06872977 |
| 3 | 2s | 13.027713 | .01919681 |
| 4 | 3s | 16.051622 | -.01653247 |
| 5 | 4s | 74.216374 | -.00006343 |
| 6 | 5s | 34.556914 | .00079627 |
| 7 | 5s | 9.018617 | .00007117 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102967 | < R2 > | .014203 | < 1/R > | 14.648435 | < 1/R**2 > | 432.018840 |
Total Energy= -279.30609834 a.u.
Kinetic Energy= 279.33001900 a.u.
Potential Energy= -558.63611734 a.u.
Virial Ratio = -1.99991436