(1s 2 2s 2 2p 2 5p 1 ) 2 D Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 2p | 3.368166 | .29597044 |
| 2 | 3p | 1.732457 | -2.98675170 |
| 3 | 4p | 1.532682 | 7.30143914 |
| 4 | 5p | 1.484559 | -5.17765928 |
| 5 | 2p | 7.858805 | .03718232 |
| 6 | 5p | 25.663724 | -.00043861 |
| 7 | 4p | 1.088122 | -.06449696 |
| 8 | 4p | 38.030994 | -.00009791 |
| ORB.ENERGY,a.u. | -1.071400 | ||
| NORM | 1.000000 | < R > | 4.771679 | < R2 > | 25.594905 | < 1/R > | .295103 | < 1/R**2 > | .284093 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.025864 | 1.28158328 |
| 2 | 3p | 6.657879 | -.34937414 |
| 3 | 4p | 8.501598 | .06649861 |
| 4 | 5p | 1.845918 | .06416461 |
| 5 | 4p | 1.344648 | -.06481767 |
| 6 | 5p | 26.451430 | -.00139514 |
| 7 | 5p | 45.964331 | -.00012664 |
| 8 | 3p | 26.961073 | -.00036809 |
| ORB.ENERGY,a.u. | -10.149000 | ||
| NORM | 1.000000 | < R > | .490101 | < R2 > | .295560 | < 1/R > | 2.599655 | < 1/R**2 > | 9.222523 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.525625 | .38741838 |
| 2 | 2s | 5.404712 | -.83569775 |
| 3 | 3s | 5.645917 | -.27283291 |
| 4 | 4s | 21.153408 | .00248493 |
| 5 | 3s | 12.758450 | .01552677 |
| 6 | 5s | 5.595802 | -.03661190 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553664 | < R2 > | .359932 | < 1/R > | 2.634472 | < 1/R**2 > | 28.215724 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159078 | .91996685 |
| 2 | 1s | 18.805856 | .07951868 |
| 3 | 2s | 11.284643 | .01919788 |
| 4 | 3s | 14.397995 | -.01548852 |
| 5 | 5s | 30.656112 | .00111395 |
| 6 | 4s | 73.354235 | -.00004111 |
| 7 | 5s | 9.806033 | .00056037 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119602 | < R2 > | .019195 | < 1/R > | 12.631940 | < 1/R**2 > | 321.796379 |
Total Energy= -215.30933894 a.u.
Kinetic Energy= 215.30152068 a.u.
Potential Energy= -430.61085963 a.u.
Virial Ratio = -2.00003631