(1s 2 2s 2 2p 2 5p 1 ) 4 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 3.573934 | .26545357 |
| 2 | 3p | 1.830969 | -2.45757416 |
| 3 | 4p | 1.550729 | 6.40694318 |
| 4 | 5p | 1.494603 | -4.65135006 |
| 5 | 2p | 7.312381 | .05432384 |
| 6 | 5p | 22.942733 | -.00086765 |
| 7 | 4p | 1.207657 | -.19785378 |
| 8 | 4p | 33.648906 | -.00022789 |
| ORB.ENERGY,a.u. | -1.083700 | ||
| NORM | 1.000000 | < R > | 4.717291 | < R2 > | 25.016737 | < 1/R > | .304856 | < 1/R**2 > | .332962 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.839002 | 1.18722171 |
| 2 | 3p | 5.788655 | -.20909780 |
| 3 | 2p | 12.994594 | .01861377 |
| 4 | 4p | 15.286570 | .00662095 |
| 5 | 5p | .953706 | .00011068 |
| 6 | 5p | 22.269393 | -.00143512 |
| 7 | 4p | 60.567793 | .00002816 |
| ORB.ENERGY,a.u. | -10.161000 | ||
| NORM | 1.000000 | < R > | .490509 | < R2 > | .292988 | < 1/R > | 2.595872 | < 1/R**2 > | 9.200366 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.525541 | .38741795 |
| 2 | 2s | 5.405046 | -.83563756 |
| 3 | 3s | 5.644895 | -.27283912 |
| 4 | 4s | 21.109598 | .00248217 |
| 5 | 3s | 12.780521 | .01549042 |
| 6 | 5s | 5.599023 | -.03663588 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553670 | < R2 > | .359939 | < 1/R > | 2.634438 | < 1/R**2 > | 28.215006 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159078 | .91996914 |
| 2 | 1s | 18.805820 | .07951709 |
| 3 | 2s | 11.284015 | .01919762 |
| 4 | 3s | 14.397628 | -.01548855 |
| 5 | 5s | 30.646504 | .00111426 |
| 6 | 4s | 73.372135 | -.00004124 |
| 7 | 5s | 9.803488 | .00055872 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119602 | < R2 > | .019195 | < 1/R > | 12.631927 | < 1/R**2 > | 321.795812 |
Total Energy= -215.30947933 a.u.
Kinetic Energy= 215.31374064 a.u.
Potential Energy= -430.62321997 a.u.
Virial Ratio = -1.99998021