(1s 2 2s 2 2p 5 5s 1 ) 3 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 11.318396 | .04027370 |
| 2 | 2s | 3.638564 | -.17985216 |
| 3 | 3s | 1.650657 | .95666171 |
| 4 | 4s | 1.143842 | -2.45011032 |
| 5 | 5s | .952773 | 2.26208987 |
| 6 | 5s | 10.802993 | -.01276760 |
| 7 | 4s | 14.010261 | -.00779443 |
| 8 | 5s | 36.740573 | -.00024446 |
| 9 | 4s | 54.752724 | -.00005861 |
| ORB.ENERGY,a.u. | -.438740 | ||
| NORM | 1.000000 | < R > | 6.866970 | < R2 > | 52.804738 | < 1/R > | .204930 | < 1/R**2 > | .411520 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.860853 | 1.28789061 |
| 2 | 3p | 4.601566 | -.37785883 |
| 3 | 2p | 9.543824 | .08565743 |
| 4 | 3p | 40.761512 | .00002609 |
| 5 | 4p | 11.234435 | .01809463 |
| 6 | 5p | 2.812070 | .00097902 |
| 7 | 4p | 1.612602 | -.00018518 |
| ORB.ENERGY,a.u. | -5.396100 | ||
| NORM | 1.000000 | < R > | .565481 | < R2 > | .398118 | < 1/R > | 2.309487 | < 1/R**2 > | 7.485931 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.766273 | .30057275 |
| 2 | 2s | 4.076760 | -.77451372 |
| 3 | 3s | 7.471103 | -.23109241 |
| 4 | 4s | 6.058212 | -.05074759 |
| 5 | 5s | 15.285323 | -.00945535 |
| 6 | 5s | 1.684131 | .00276648 |
| 7 | 4s | 2.138994 | -.00197334 |
| 8 | 4s | 58.554241 | -.00003211 |
| 9 | 3s | .635189 | -.00192768 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602016 | < R2 > | .430268 | < 1/R > | 2.417282 | < 1/R**2 > | 24.039635 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197340 | .91352047 |
| 2 | 1s | 18.065934 | .08418135 |
| 3 | 2s | 6.890770 | .01958547 |
| 4 | 3s | 8.720599 | -.02094315 |
| 5 | 4s | 11.122944 | .01079412 |
| 6 | 5s | 31.046051 | .00097015 |
| 7 | 4s | 73.245402 | -.00003941 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120145 | < R2 > | .019412 | < 1/R > | 12.596459 | < 1/R**2 > | 320.409636 |
Total Energy= -236.08021745 a.u.
Kinetic Energy= 236.08119841 a.u.
Potential Energy= -472.16141586 a.u.
Virial Ratio = -1.99999584