(1s 2 2s 2 2p 2 3d 1 ) 2 D Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 2.347068 | 1.02480796 |
| 2 | 3d | 6.555819 | .01897629 |
| 3 | 4d | 2.893071 | -.03303070 |
| 4 | 5d | 21.421372 | -.00011794 |
| ORB.ENERGY,a.u. | -2.730600 | ||
| NORM | 1.000000 | < R > | 1.477531 | < R2 > | 2.506659 | < 1/R > | .796053 | < 1/R**2 > | .771438 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.845063 | 1.19225629 |
| 2 | 3p | 5.784778 | -.21315371 |
| 3 | 2p | 13.094993 | .01777636 |
| 4 | 4p | 15.584555 | .00569458 |
| 5 | 5p | 2.088481 | -.00010865 |
| 6 | 5p | 23.008067 | -.00126542 |
| 7 | 4p | 63.276407 | .00002253 |
| ORB.ENERGY,a.u. | -9.441000 | ||
| NORM | 1.000000 | < R > | .489684 | < R2 > | .291956 | < 1/R > | 2.599684 | < 1/R**2 > | 9.224906 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.526722 | .38643264 |
| 2 | 2s | 5.399881 | -.83528623 |
| 3 | 3s | 5.607054 | -.27298380 |
| 4 | 4s | 20.922214 | .00255770 |
| 5 | 3s | 12.929361 | .01468081 |
| 6 | 5s | 5.435659 | -.03707770 |
| 7 | 4s | 2.295661 | -.00013059 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .555214 | < R2 > | .362269 | < 1/R > | 2.627915 | < 1/R**2 > | 28.089632 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159524 | .91996466 |
| 2 | 1s | 18.805490 | .07951519 |
| 3 | 2s | 11.296855 | .01918963 |
| 4 | 3s | 14.397834 | -.01548790 |
| 5 | 5s | 30.679211 | .00111400 |
| 6 | 4s | 73.318525 | -.00004106 |
| 7 | 5s | 9.695389 | .00057515 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119596 | < R2 > | .019193 | < 1/R > | 12.632404 | < 1/R**2 > | 321.815493 |
Total Energy= -217.06646126 a.u.
Kinetic Energy= 216.96108413 a.u.
Potential Energy= -434.02754539 a.u.
Virial Ratio = -2.00048570