(1s 2 2s 2 2p 5 4d 1 ) 1 F Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 1.175408 | 1.26277854 |
| 2 | 4d | 1.008627 | -1.78406115 |
| 3 | 3d | 4.447739 | .03229317 |
| 4 | 4d | 2.855517 | .03569841 |
| 5 | 5d | 7.151614 | -.00289732 |
| 6 | 4d | 26.934780 | .00002472 |
| ORB.ENERGY,a.u. | -.516640 | ||
| NORM | 1.000002 | < R > | 5.024531 | < R2 > | 29.038548 | < 1/R > | .268711 | < 1/R**2 > | .123841 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.830115 | 1.30237179 |
| 2 | 3p | 4.552475 | -.39414737 |
| 3 | 2p | 9.523360 | .08746408 |
| 4 | 5p | 77.059760 | .00001013 |
| 5 | 4p | 11.210989 | .01867726 |
| 6 | 5p | 2.521501 | .01118924 |
| 7 | 4p | 2.174374 | -.01186481 |
| ORB.ENERGY,a.u. | -5.284000 | ||
| NORM | 1.000000 | < R > | .565600 | < R2 > | .398377 | < 1/R > | 2.309370 | < 1/R**2 > | 7.485915 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.642825 | .34934201 |
| 2 | 2s | 5.139128 | -.82801990 |
| 3 | 3s | 4.358868 | -.30207783 |
| 4 | 4s | 16.582089 | .00545312 |
| 5 | 3s | 15.500542 | .00650042 |
| 6 | 5s | 33.772809 | .00031750 |
| 7 | 5s | 3.644090 | -.00100739 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602140 | < R2 > | .430435 | < 1/R > | 2.416862 | < 1/R**2 > | 24.032135 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197340 | .91350039 |
| 2 | 1s | 18.070603 | .08416344 |
| 3 | 2s | 6.985951 | .01939692 |
| 4 | 3s | 8.838067 | -.02058755 |
| 5 | 4s | 11.209322 | .01068027 |
| 6 | 5s | 31.085887 | .00096764 |
| 7 | 4s | 73.075100 | -.00003918 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120144 | < R2 > | .019412 | < 1/R > | 12.596525 | < 1/R**2 > | 320.412632 |
Total Energy= -236.16188967 a.u.
Kinetic Energy= 236.15952687 a.u.
Potential Energy= -472.32141654 a.u.
Virial Ratio = -2.00001001