(1s 2 2s 2 2p 3 4d 1 ) 5 D Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5242.
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 | 1.809904 | 1.14073016 |
| 2 | 4d | 1.530459 | -1.70031108 |
| 3 | 3d | 5.333925 | .04573490 |
| 4 | 4d | 3.876103 | .05120356 |
| 5 | 5d | 17.173285 | -.00019001 |
| ORB.ENERGY,a.u. | -1.183400 | ||
| NORM | 1.000000 | < R > | 3.286091 | < R2 > | 12.413502 | < 1/R > | .410508 | < 1/R**2 > | .288456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.765850 | 1.38785703 |
| 2 | 3p | 6.159331 | -.48883803 |
| 3 | 4p | 7.630584 | .09494875 |
| 4 | 5p | 22.312406 | -.00255223 |
| 5 | 4p | 3.121023 | .01478156 |
| 6 | 4p | 29.148278 | -.00123133 |
| 7 | 5p | 3.124764 | -.00771070 |
| 8 | 3p | 2.815953 | -.00008881 |
| 9 | 3p | 40.950341 | -.00010348 |
| ORB.ENERGY,a.u. | -8.466700 | ||
| NORM | 1.000000 | < R > | .511360 | < R2 > | .320148 | < 1/R > | 2.505638 | < 1/R**2 > | 8.632526 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.488304 | .37800776 |
| 2 | 2s | 5.346728 | -.84577160 |
| 3 | 3s | 5.025848 | -.28277757 |
| 4 | 4s | 21.221105 | .00231754 |
| 5 | 3s | 12.618615 | .01608141 |
| 6 | 5s | 5.145332 | -.01640594 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .569636 | < R2 > | .382253 | < 1/R > | 2.557398 | < 1/R**2 > | 26.699710 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.169294 | .91993885 |
| 2 | 1s | 18.713421 | .07895382 |
| 3 | 2s | 10.852717 | .01802134 |
| 4 | 3s | 15.235680 | -.01488549 |
| 5 | 4s | 23.771231 | .00309795 |
| 6 | 5s | 41.843498 | .00013744 |
| 7 | 5s | 9.309743 | .00078294 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119820 | < R2 > | .019281 | < 1/R > | 12.617527 | < 1/R**2 > | 321.231137 |
Total Energy= -224.28959257 a.u.
Kinetic Energy= 224.30200482 a.u.
Potential Energy= -448.59159739 a.u.
Virial Ratio = -1.99994466