(1s 1 5s 1 ) 3 S Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 9.232235 | .13678370 |
| 2 | 2s | 3.546396 | -1.95558977 |
| 3 | 3s | 2.731247 | 7.04331394 |
| 4 | 4s | 2.221922 | -18.87988706 |
| 5 | 5s | 2.356473 | 14.46728986 |
| 6 | 2s | 6.617283 | .18888829 |
| 7 | 5s | 21.209927 | .00090140 |
| 8 | 4s | 1.447051 | .01307050 |
| 9 | 4s | 30.092752 | .00009767 |
| ORB.ENERGY,a.u. | -3.116700 | ||
| NORM | 1.000000 | < R > | 3.080259 | < R2 > | 10.625809 | < 1/R > | .483414 | < 1/R**2 > | 2.304819 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.750633 | .88932481 |
| 2 | 1s | 15.405295 | .10555632 |
| 3 | 2s | 14.871562 | .01067090 |
| 4 | 3s | 13.405466 | -.00537312 |
| 5 | 4s | 14.066067 | .00002828 |
| 6 | 5s | 16.832848 | .00016746 |
| ORB.ENERGY,a.u. | -84.237000 |
| NORM | 1.000000 | < R > | .115384 | < R2 > | .017752 | < 1/R > | 13.000238 | < 1/R**2 > | 338.013416 |
Total Energy= -87.41568914 a.u.
Kinetic Energy= 87.42236023 a.u.
Potential Energy= -174.83804937 a.u.
Virial Ratio = -1.99992369