(1s 2 2s 2 2p 5 5d 1 ) 3 F Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 1.063714 | 1.29880358 |
| 2 | 4d | .862110 | -4.21390567 |
| 3 | 5d | .809304 | 3.57944541 |
| 4 | 3d | 2.448544 | .08661181 |
| 5 | 5d | 3.716141 | -.02362209 |
| 6 | 4d | 7.506920 | .00573523 |
| 7 | 5d | 14.467660 | .00008194 |
| 8 | 3d | 10.489387 | .00100141 |
| ORB.ENERGY,a.u. | -.331280 | ||
| NORM | 1.000008 | < R > | 8.276217 | < R2 > | 78.000526 | < 1/R > | .172130 | < 1/R**2 > | .065861 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.840428 | 1.29932055 |
| 2 | 3p | 4.575864 | -.38931465 |
| 3 | 2p | 9.536219 | .08660925 |
| 4 | 4p | 11.205618 | .01859371 |
| 5 | 5p | 78.252403 | .00000989 |
| 6 | 5p | 2.748440 | .01201325 |
| 7 | 4p | 2.415417 | -.01333057 |
| ORB.ENERGY,a.u. | -5.402300 | ||
| NORM | 1.000000 | < R > | .565442 | < R2 > | .398085 | < 1/R > | 2.309728 | < 1/R**2 > | 7.487626 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.645535 | .34926473 |
| 2 | 2s | 5.137130 | -.82786135 |
| 3 | 3s | 4.362005 | -.30187754 |
| 4 | 4s | 16.825686 | .00523407 |
| 5 | 3s | 15.400411 | .00651163 |
| 6 | 5s | 34.374986 | .00028568 |
| 7 | 5s | 3.618305 | -.00084620 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602001 | < R2 > | .430192 | < 1/R > | 2.417293 | < 1/R**2 > | 24.039505 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197340 | .91349941 |
| 2 | 1s | 18.070382 | .08416440 |
| 3 | 2s | 6.985566 | .01939887 |
| 4 | 3s | 8.837664 | -.02058845 |
| 5 | 4s | 11.208963 | .01068116 |
| 6 | 5s | 31.069248 | .00096713 |
| 7 | 4s | 73.100716 | -.00003962 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120144 | < R2 > | .019412 | < 1/R > | 12.596502 | < 1/R**2 > | 320.411680 |
Total Energy= -235.97340346 a.u.
Kinetic Energy= 235.97416862 a.u.
Potential Energy= -471.94757208 a.u.
Virial Ratio = -1.99999676