(1s 1 3d 1 ) 1 D Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 3.999237 | 1.00015576 |
| 2 | 3d | 9.844911 | -.00031114 |
| 3 | 4d | 42.336608 | .00002276 |
| ORB.ENERGY,a.u. | -8.191700 | ||
| NORM | 1.000000 | < R > | .875282 | < R2 > | .875515 | < 1/R > | 1.332781 | < 1/R**2 > | 2.131255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.750633 | .88932323 |
| 2 | 1s | 15.405859 | .10555116 |
| 3 | 2s | 15.007855 | .01042727 |
| 4 | 3s | 13.021312 | -.00537374 |
| 5 | 4s | 14.416488 | .00017061 |
| 6 | 5s | 15.882210 | .00026471 |
| ORB.ENERGY,a.u. | -83.303000 |
| NORM | 1.000000 | < R > | .115378 | < R2 > | .017749 | < 1/R > | 13.000398 | < 1/R**2 > | 338.015432 |
Total Energy= -92.52177454 a.u.
Kinetic Energy= 92.49855226 a.u.
Potential Energy= -185.02032679 a.u.
Virial Ratio = -2.00025106