(1s 2 2s 2 2p 1 5d 1 ) 1 P Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 1.589510 | 3.58556424 |
| 2 | 4d | 1.602680 | -9.03701108 |
| 3 | 5d | 1.612851 | 6.11307150 |
| 4 | 3d | 5.114889 | .02975250 |
| 5 | 5d | 1.178188 | .03546725 |
| 6 | 5d | 7.514953 | -.00940049 |
| 7 | 4d | 19.354823 | .00004832 |
| 8 | 4d | .910713 | -.01446809 |
| 9 | 3d | 21.194023 | .00004692 |
| ORB.ENERGY,a.u. | -1.289400 | ||
| NORM | 1.000000 | < R > | 4.270346 | < R2 > | 20.717606 | < 1/R > | .326771 | < 1/R**2 > | .220649 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.179642 | 1.08222341 |
| 2 | 3p | 6.410269 | -.10221577 |
| 3 | 2p | 12.418870 | .01848859 |
| 4 | 5p | 14.855285 | .00359947 |
| 5 | 4p | 27.510227 | -.00036325 |
| 6 | 5p | 5.187511 | .00527380 |
| 7 | 5p | 87.783979 | -.00000537 |
| ORB.ENERGY,a.u. | -11.774000 | ||
| NORM | 1.000000 | < R > | .472043 | < R2 > | .270192 | < 1/R > | 2.683674 | < 1/R**2 > | 9.774423 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.328274 | .35722208 |
| 2 | 2s | 4.747885 | -.80191047 |
| 3 | 3s | 6.998592 | -.27900647 |
| 4 | 4s | 24.423655 | .00151925 |
| 5 | 5s | 13.705275 | -.01268349 |
| 6 | 5s | 5.277150 | .01809087 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .538781 | < R2 > | .339949 | < 1/R > | 2.711792 | < 1/R**2 > | 29.770353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172800 | .92274236 |
| 2 | 1s | 18.729394 | .07846658 |
| 3 | 2s | 10.628172 | .01824585 |
| 4 | 3s | 13.400685 | -.01685758 |
| 5 | 4s | 65.175690 | -.00006989 |
| 6 | 5s | 30.045565 | .00087939 |
| 7 | 4s | 3.688708 | .00002235 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119327 | < R2 > | .019088 | < 1/R > | 12.650501 | < 1/R**2 > | 322.529608 |
Total Energy= -205.08187518 a.u.
Kinetic Energy= 205.05920767 a.u.
Potential Energy= -410.14108285 a.u.
Virial Ratio = -2.00011054