(1s 2 2s 2 2p 2 5p 1 ) 2 S Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 3.778447 | .26486082 |
| 2 | 3p | 1.901937 | -2.20197512 |
| 3 | 4p | 1.560425 | 6.02234126 |
| 4 | 5p | 1.503973 | -4.44653193 |
| 5 | 2p | 7.532946 | .04557964 |
| 6 | 5p | 22.218717 | -.00093705 |
| 7 | 4p | 1.239937 | -.26874874 |
| 8 | 4p | 32.479870 | -.00026211 |
| ORB.ENERGY,a.u. | -1.094200 | ||
| NORM | .999999 | < R > | 4.675898 | < R2 > | 24.575986 | < 1/R > | .307700 | < 1/R**2 > | .339680 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.836173 | 1.17670456 |
| 2 | 3p | 5.768463 | -.20063569 |
| 3 | 2p | 12.748929 | .02056548 |
| 4 | 4p | 14.928633 | .00744534 |
| 5 | 5p | 3.568400 | .00028627 |
| 6 | 5p | 21.822585 | -.00147727 |
| 7 | 4p | 59.426001 | .00003022 |
| ORB.ENERGY,a.u. | -10.172000 | ||
| NORM | 1.000000 | < R > | .490621 | < R2 > | .293123 | < 1/R > | 2.595296 | < 1/R**2 > | 9.196476 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.525609 | .38741214 |
| 2 | 2s | 5.405008 | -.83562711 |
| 3 | 3s | 5.644769 | -.27282835 |
| 4 | 4s | 21.104764 | .00248394 |
| 5 | 3s | 12.783982 | .01547442 |
| 6 | 5s | 5.599671 | -.03663780 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553672 | < R2 > | .359941 | < 1/R > | 2.634427 | < 1/R**2 > | 28.214730 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159078 | .91996652 |
| 2 | 1s | 18.805820 | .07951881 |
| 3 | 2s | 11.284475 | .01919827 |
| 4 | 3s | 14.397515 | -.01548866 |
| 5 | 5s | 30.647932 | .00111425 |
| 6 | 4s | 73.370444 | -.00004117 |
| 7 | 5s | 9.804954 | .00055869 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119602 | < R2 > | .019195 | < 1/R > | 12.631936 | < 1/R**2 > | 321.796156 |
Total Energy= -215.30935718 a.u.
Kinetic Energy= 215.32424531 a.u.
Potential Energy= -430.63360250 a.u.
Virial Ratio = -1.99993086