(1s 2 2s 2 2p 5 4d 1 ) 3 F Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 1.193222 | 1.20224969 |
| 2 | 4d | 1.013374 | -1.73567456 |
| 3 | 3d | 4.321095 | .04008703 |
| 4 | 4d | 2.812283 | .04423813 |
| 5 | 5d | 7.070519 | -.00312190 |
| 6 | 4d | 26.567884 | .00003011 |
| ORB.ENERGY,a.u. | -.520770 | ||
| NORM | 1.000000 | < R > | 4.972691 | < R2 > | 28.478302 | < 1/R > | .273035 | < 1/R**2 > | .129460 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.829932 | 1.30279781 |
| 2 | 3p | 4.556026 | -.39429522 |
| 3 | 2p | 9.520987 | .08744900 |
| 4 | 4p | 11.196109 | .01871812 |
| 5 | 5p | 78.270716 | .00000985 |
| 6 | 5p | 2.612849 | .01243528 |
| 7 | 4p | 2.261531 | -.01332294 |
| ORB.ENERGY,a.u. | -5.288200 | ||
| NORM | 1.000000 | < R > | .565734 | < R2 > | .398598 | < 1/R > | 2.309001 | < 1/R**2 > | 7.483999 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.642495 | .34935338 |
| 2 | 2s | 5.139446 | -.82806282 |
| 3 | 3s | 4.358060 | -.30212022 |
| 4 | 4s | 16.542807 | .00549111 |
| 5 | 3s | 15.531397 | .00649495 |
| 6 | 5s | 33.596581 | .00032162 |
| 7 | 5s | 3.632333 | -.00098631 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602155 | < R2 > | .430462 | < 1/R > | 2.416820 | < 1/R**2 > | 24.031439 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197340 | .91350138 |
| 2 | 1s | 18.070824 | .08416252 |
| 3 | 2s | 6.986572 | .01939431 |
| 4 | 3s | 8.838703 | -.02058613 |
| 5 | 4s | 11.209717 | .01067936 |
| 6 | 5s | 31.102073 | .00096821 |
| 7 | 4s | 73.054930 | -.00003876 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120144 | < R2 > | .019412 | < 1/R > | 12.596550 | < 1/R**2 > | 320.413632 |
Total Energy= -236.16183205 a.u.
Kinetic Energy= 236.16365148 a.u.
Potential Energy= -472.32548353 a.u.
Virial Ratio = -1.99999230