(1s 1 5s 1 ) 1 S Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 1.523223 | 1.20446964 |
| 2 | 2s | 3.205391 | -3.12325393 |
| 3 | 3s | 2.701655 | 8.04803227 |
| 4 | 4s | 2.261649 | -19.58213735 |
| 5 | 5s | 2.374965 | 14.12384679 |
| 6 | 2s | 8.498283 | .06061023 |
| 7 | 5s | 15.878213 | -.00291341 |
| 8 | 2s | 17.483172 | -.00030441 |
| ORB.ENERGY,a.u. | -3.105100 | ||
| NORM | .999988 | < R > | 3.089173 | < R2 > | 10.693546 | < 1/R > | .455574 | < 1/R**2 > | 1.061688 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.004447 | 1.00168933 |
| 2 | 2s | 1.097945 | .27865081 |
| 3 | 3s | 5.857249 | -.05086940 |
| 4 | 4s | 7.346523 | .01750414 |
| 5 | 5s | 3.077944 | -.17968834 |
| 6 | 4s | 1.348134 | -.10607158 |
| 7 | 5s | 23.086047 | -.00006099 |
| ORB.ENERGY,a.u. | -84.225000 |
| NORM | 1.000000 | < R > | .117813 | < R2 > | .028141 | < 1/R > | 13.027042 | < 1/R**2 > | 339.264481 |
Total Energy= -87.41935048 a.u.
Kinetic Energy= 87.41106118 a.u.
Potential Energy= -174.83041166 a.u.
Virial Ratio = -2.00009483