(1s 2 2s 2 2p 5 5d 1 ) 1 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 1.471410 | 1.76787233 |
| 2 | 4d | 1.240782 | -5.39643376 |
| 3 | 5d | 1.194466 | 4.39685114 |
| 4 | 3d | 4.242866 | .01910769 |
| 5 | 5d | 6.297528 | -.00757794 |
| 6 | 4d | 11.515579 | .00141901 |
| 7 | 5d | 1.039349 | -.04271918 |
| 8 | 3d | 15.397698 | .00031611 |
| ORB.ENERGY,a.u. | -.725560 | ||
| NORM | 1.000003 | < R > | 5.694947 | < R2 > | 36.839444 | < 1/R > | .244823 | < 1/R**2 > | .123817 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.866391 | 1.22224217 |
| 2 | 3p | 5.744300 | -.30049552 |
| 3 | 2p | 11.313803 | .07566423 |
| 4 | 5p | 79.023510 | .00001422 |
| 5 | 4p | 13.546698 | .01380439 |
| 6 | 5p | 2.913966 | .00046372 |
| ORB.ENERGY,a.u. | -9.331600 | ||
| NORM | 1.000000 | < R > | .458994 | < R2 > | .260184 | < 1/R > | 2.819003 | < 1/R**2 > | 11.039413 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.139005 | .37234536 |
| 2 | 2s | 6.147007 | -.83426627 |
| 3 | 3s | 5.432150 | -.30283494 |
| 4 | 4s | 18.291093 | .00432928 |
| 5 | 3s | 17.465365 | .00670514 |
| 6 | 5s | 36.131188 | .00044671 |
| 7 | 5s | 5.084590 | -.00257192 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501287 | < R2 > | .297044 | < 1/R > | 2.911913 | < 1/R**2 > | 34.804101 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204573 | .92330500 |
| 2 | 1s | 20.990799 | .07298805 |
| 3 | 2s | 8.545489 | .02100707 |
| 4 | 3s | 10.658136 | -.02130212 |
| 5 | 4s | 13.404159 | .01067694 |
| 6 | 5s | 35.711040 | .00079843 |
| 7 | 4s | 81.360508 | -.00003970 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103672 | < R2 > | .014442 | < 1/R > | 14.585183 | < 1/R**2 > | 429.135151 |
Total Energy= -327.05996239 a.u.
Kinetic Energy= 327.04176764 a.u.
Potential Energy= -654.10173004 a.u.
Virial Ratio = -2.00005563