(1s 2 2s 2 2p 2 3d 1 ) 2 F P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 3d- electron | |
| 1 | 3d | 3.068494 | 1.05971492 |
| 2 | 3d | 7.736956 | .02056845 |
| 3 | 4d | 3.671611 | -.07068140 |
| 4 | 5d | 22.350365 | -.00016841 |
| ORB.ENERGY,a.u. | -4.603800 | ||
| NORM | 1.000000 | < R > | 1.123977 | < R2 > | 1.452491 | < 1/R > | 1.047560 | < 1/R**2 > | 1.335858 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.804876 | 1.16010835 |
| 2 | 3p | 6.835648 | -.18262691 |
| 3 | 2p | 14.514794 | .01965270 |
| 4 | 4p | 16.804980 | .00486427 |
| 5 | 5p | 27.928335 | -.00063686 |
| 6 | 5p | 3.930418 | -.00020251 |
| 7 | 4p | 83.483896 | .00001014 |
| ORB.ENERGY,a.u. | -14.386000 | ||
| NORM | 1.000000 | < R > | .409635 | < R2 > | .203882 | < 1/R > | 3.099435 | < 1/R**2 > | 13.066830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.922849 | .41065373 |
| 2 | 2s | 6.447679 | -.85388348 |
| 3 | 3s | 6.577945 | -.28075696 |
| 4 | 4s | 24.920482 | .00223155 |
| 5 | 3s | 14.239616 | .01626950 |
| 6 | 5s | 6.437080 | -.02809705 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .468609 | < R2 > | .257702 | < 1/R > | 3.125157 | < 1/R**2 > | 39.677107 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110172 | .92170812 |
| 2 | 1s | 21.589155 | .07719247 |
| 3 | 2s | 13.466485 | .01932249 |
| 4 | 3s | 16.734765 | -.01553500 |
| 5 | 5s | 35.667278 | .00099069 |
| 6 | 4s | 86.702670 | -.00003314 |
| 7 | 5s | 11.475956 | .00053296 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103185 | < R2 > | .014276 | < 1/R > | 14.628553 | < 1/R**2 > | 431.107637 |
Total Energy= -296.38166026 a.u.
Kinetic Energy= 296.29888851 a.u.
Potential Energy= -592.68054877 a.u.
Virial Ratio = -2.00027935