(1s 2 2s 2 2p 2 5d 1 ) 4 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 1.776587 | 1.55415124 |
| 2 | 4d | 1.537190 | -4.19714685 |
| 3 | 5d | 1.398183 | 3.30104111 |
| 4 | 3d | 4.244959 | .05562147 |
| 5 | 5d | 6.612163 | -.01228817 |
| 6 | 4d | 19.115599 | .00020293 |
| 7 | 5d | .983981 | -.00599181 |
| 8 | 5d | 51.838182 | .00001373 |
| 9 | 3d | 56.550391 | .00000269 |
| ORB.ENERGY,a.u. | -1.005900 | ||
| NORM | .999999 | < R > | 4.785711 | < R2 > | 26.024511 | < 1/R > | .292653 | < 1/R**2 > | .180054 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.829674 | 1.18884407 |
| 2 | 3p | 5.795317 | -.21078480 |
| 3 | 2p | 12.479608 | .02090726 |
| 4 | 4p | 13.601836 | .00485078 |
| 5 | 5p | 28.037000 | -.00032255 |
| 6 | 5p | 3.278860 | .01146442 |
| 7 | 4p | 2.887084 | -.01272994 |
| ORB.ENERGY,a.u. | -10.150000 | ||
| NORM | 1.000000 | < R > | .490659 | < R2 > | .293187 | < 1/R > | 2.595209 | < 1/R**2 > | 9.196141 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.526964 | .38738586 |
| 2 | 2s | 5.404254 | -.83562210 |
| 3 | 3s | 5.644533 | -.27282477 |
| 4 | 4s | 21.180888 | .00247029 |
| 5 | 3s | 12.807052 | .01529899 |
| 6 | 5s | 5.591143 | -.03642068 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553620 | < R2 > | .359882 | < 1/R > | 2.634744 | < 1/R**2 > | 28.220890 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159524 | .91996555 |
| 2 | 1s | 18.806638 | .07951235 |
| 3 | 2s | 11.306697 | .01918353 |
| 4 | 3s | 14.397932 | -.01548798 |
| 5 | 5s | 30.688758 | .00111311 |
| 6 | 4s | 73.288507 | -.00004097 |
| 7 | 5s | 9.729971 | .00057418 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119593 | < R2 > | .019192 | < 1/R > | 12.632541 | < 1/R**2 > | 321.820628 |
Total Energy= -215.24063020 a.u.
Kinetic Energy= 215.23631065 a.u.
Potential Energy= -430.47694086 a.u.
Virial Ratio = -2.00002007