(1s 1 5d 1 ) 3 D Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 2.399759 | 3.55278163 |
| 2 | 4d | 2.400201 | -8.86952881 |
| 3 | 5d | 2.401145 | 6.00811532 |
| 4 | 3d | 10.309992 | .00079843 |
| 5 | 5d | 16.844349 | -.00028549 |
| 6 | 4d | 1.777912 | .00377260 |
| ORB.ENERGY,a.u. | -3.072100 | ||
| NORM | .999997 | < R > | 2.873863 | < R2 > | 9.368128 | < 1/R > | .480366 | < 1/R**2 > | .462078 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.750011 | .88933601 |
| 2 | 1s | 15.406423 | .10555142 |
| 3 | 2s | 14.854503 | .01066935 |
| 4 | 3s | 13.521335 | -.00523683 |
| 5 | 4s | 18.057857 | .00002874 |
| 6 | 5s | 17.570201 | .00001376 |
| ORB.ENERGY,a.u. | -84.192000 |
| NORM | 1.000000 | < R > | .115389 | < R2 > | .017753 | < 1/R > | 12.999739 | < 1/R**2 > | 337.989901 |
Total Energy= -87.38676994 a.u.
Kinetic Energy= 87.38098429 a.u.
Potential Energy= -174.76775423 a.u.
Virial Ratio = -2.00006621