(1s 1 5d 1 ) 1 D Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 2.400369 | 3.54873536 |
| 2 | 4d | 2.400200 | -8.84654103 |
| 3 | 5d | 2.399704 | 5.99312977 |
| 4 | 5d | 9.079058 | -.00026315 |
| 5 | 3d | 27.391865 | .00001039 |
| 6 | 4d | 15.113161 | -.00015797 |
| ORB.ENERGY,a.u. | -3.070800 | ||
| NORM | .999999 | < R > | 2.875509 | < R2 > | 9.378168 | < 1/R > | .479851 | < 1/R**2 > | .460334 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.750322 | .88932964 |
| 2 | 1s | 15.406235 | .10555192 |
| 3 | 2s | 14.865356 | .01066757 |
| 4 | 3s | 13.429000 | -.00528047 |
| 5 | 4s | 7.686507 | -.00000281 |
| 6 | 5s | 18.503110 | .00007252 |
| ORB.ENERGY,a.u. | -84.191000 |
| NORM | 1.000000 | < R > | .115383 | < R2 > | .017751 | < 1/R > | 13.000102 | < 1/R**2 > | 338.004030 |
Total Energy= -87.38668384 a.u.
Kinetic Energy= 87.37955318 a.u.
Potential Energy= -174.76623702 a.u.
Virial Ratio = -2.00008161