(1s 2 2s 1 4s 1 ) 3 S Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 9.699204 | .15141338 |
| 2 | 2s | 2.982855 | -1.70059845 |
| 3 | 3s | 2.663847 | 4.88317031 |
| 4 | 4s | 2.604141 | -4.05586489 |
| 5 | 5s | 4.485272 | .15680744 |
| 6 | 4s | 8.453210 | -.05208801 |
| 7 | 5s | 25.539281 | .00112220 |
| 8 | 4s | 35.408048 | .00019053 |
| ORB.ENERGY,a.u. | -3.367200 | ||
| NORM | 1.000002 | < R > | 2.237098 | < R2 > | 5.621163 | < 1/R > | .652001 | < 1/R**2 > | 3.366062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.739128 | .41219285 |
| 2 | 2s | 5.514271 | -.79394253 |
| 3 | 3s | 6.576819 | -.30222259 |
| 4 | 5s | 11.452169 | -.02823449 |
| 5 | 4s | 22.986295 | .00675515 |
| 6 | 5s | 30.388404 | -.00173044 |
| 7 | 4s | 79.997988 | .00002278 |
| ORB.ENERGY,a.u. | -15.695000 | ||
| NORM | 1.000000 | < R > | .511457 | < R2 > | .305121 | < 1/R > | 2.877298 | < 1/R**2 > | 33.401125 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.433275 | .94068188 |
| 2 | 1s | 20.084040 | .04876170 |
| 3 | 2s | 15.106219 | .01473687 |
| 4 | 3s | 9.318020 | .00216695 |
| 5 | 4s | 51.131524 | -.00054829 |
| 6 | 5s | 67.724448 | .00020098 |
| 7 | 5s | 2.113671 | .00018889 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .119009 | < R2 > | .018969 | < 1/R > | 12.673996 | < 1/R**2 > | 323.494346 |
Total Energy= -180.53678370 a.u.
Kinetic Energy= 180.54877493 a.u.
Potential Energy= -361.08555863 a.u.
Virial Ratio = -1.99993358