(1s 2 2s 2 2p 5 4s 1 ) 3 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 12.337403 | .05299970 |
| 2 | 2s | 1.927069 | -.82410864 |
| 3 | 3s | 1.938688 | 1.95411633 |
| 4 | 4s | 1.258753 | -1.44788268 |
| 5 | 5s | 2.775476 | -.26641985 |
| 6 | 4s | 8.704306 | -.05151226 |
| 7 | 5s | 15.246230 | -.01179533 |
| 8 | 4s | 18.959286 | -.00513814 |
| 9 | 2s | 30.991813 | .00030216 |
| ORB.ENERGY,a.u. | -.750680 | ||
| NORM | 1.000000 | < R > | 4.030689 | < R2 > | 18.268678 | < 1/R > | .343420 | < 1/R**2 > | .920635 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.830444 | 1.29381126 |
| 2 | 3p | 4.548709 | -.38742984 |
| 3 | 2p | 9.470704 | .08918318 |
| 4 | 3p | 43.589333 | .00002382 |
| 5 | 4p | 11.140115 | .01867658 |
| 6 | 5p | 2.551812 | .00646630 |
| 7 | 4p | 2.148495 | -.00659886 |
| ORB.ENERGY,a.u. | -5.278300 | ||
| NORM | 1.000000 | < R > | .565928 | < R2 > | .398852 | < 1/R > | 2.308172 | < 1/R**2 > | 7.478717 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.764151 | .30056425 |
| 2 | 2s | 4.077689 | -.77211639 |
| 3 | 3s | 7.492083 | -.23131424 |
| 4 | 4s | 6.072170 | -.05299103 |
| 5 | 5s | 15.300075 | -.00906588 |
| 6 | 5s | 1.432955 | .00232225 |
| 7 | 4s | 2.704013 | -.00265241 |
| 8 | 3s | 39.769794 | -.00007406 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602282 | < R2 > | .430722 | < 1/R > | 2.416497 | < 1/R**2 > | 24.026615 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.194082 | .91353740 |
| 2 | 1s | 18.060454 | .08441385 |
| 3 | 2s | 6.636129 | .02019608 |
| 4 | 3s | 8.379788 | -.02206586 |
| 5 | 4s | 10.785499 | .01103244 |
| 6 | 5s | 31.041198 | .00089165 |
| 7 | 4s | 70.364942 | -.00004502 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120144 | < R2 > | .019412 | < 1/R > | 12.596478 | < 1/R**2 > | 320.409930 |
Total Energy= -236.39039703 a.u.
Kinetic Energy= 236.39265780 a.u.
Potential Energy= -472.78305483 a.u.
Virial Ratio = -1.99999044