(1s 2 2s 2 2p 2 5d 1 ) 2 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 5d- electron | |
| 1 | 3d | 1.803869 | 1.46889007 |
| 2 | 4d | 1.552457 | -3.99007171 |
| 3 | 5d | 1.400928 | 3.16890052 |
| 4 | 3d | 4.233831 | .06577588 |
| 5 | 5d | 6.648844 | -.01409310 |
| 6 | 4d | 18.650141 | .00020807 |
| 7 | 5d | .984250 | -.00637852 |
| 8 | 5d | 50.655296 | .00001495 |
| 9 | 3d | 55.406868 | .00000286 |
| ORB.ENERGY,a.u. | -1.011400 | ||
| NORM | 1.000000 | < R > | 4.758625 | < R2 > | 25.726600 | < 1/R > | .294454 | < 1/R**2 > | .183318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.843304 | 1.18460271 |
| 2 | 3p | 5.809920 | -.20622645 |
| 3 | 2p | 12.943039 | .01872166 |
| 4 | 4p | 15.204811 | .00623840 |
| 5 | 5p | 3.400806 | .00020119 |
| 6 | 5p | 22.583072 | -.00125189 |
| 7 | 4p | 61.518080 | .00002427 |
| ORB.ENERGY,a.u. | -10.155000 | ||
| NORM | 1.000000 | < R > | .490740 | < R2 > | .293276 | < 1/R > | 2.594808 | < 1/R**2 > | 9.193565 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.526935 | .38738402 |
| 2 | 2s | 5.404269 | -.83561171 |
| 3 | 3s | 5.644269 | -.27283233 |
| 4 | 4s | 21.179168 | .00247350 |
| 5 | 3s | 12.807930 | .01528656 |
| 6 | 5s | 5.591700 | -.03641401 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553622 | < R2 > | .359885 | < 1/R > | 2.634725 | < 1/R**2 > | 28.220439 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159524 | .91996564 |
| 2 | 1s | 18.806874 | .07951136 |
| 3 | 2s | 11.308017 | .01918340 |
| 4 | 3s | 14.399125 | -.01548744 |
| 5 | 5s | 30.696551 | .00111355 |
| 6 | 4s | 73.300543 | -.00004079 |
| 7 | 5s | 9.724563 | .00057411 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119593 | < R2 > | .019192 | < 1/R > | 12.632553 | < 1/R**2 > | 321.821148 |
Total Energy= -215.24070356 a.u.
Kinetic Energy= 215.24188537 a.u.
Potential Energy= -430.48258893 a.u.
Virial Ratio = -1.99999451