(1s 2 2s 2 2p 6 3s 2 5s 1 ) 2 S Al 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 3s | 21.028334 | -.00019779 |
| 2 | 1s | 11.493513 | .01180216 |
| 3 | 2s | 3.488423 | -.06126159 |
| 4 | 3s | 1.379515 | .09213535 |
| 5 | 4s | .603767 | -.68691960 |
| 6 | 5s | .346670 | 1.14407550 |
| 7 | 2s | 1.276113 | .10424178 |
| 8 | 5s | 10.747132 | -.00406584 |
| 9 | 4s | 13.795506 | -.00270309 |
| 10 | 2s | .133916 | .01482873 |
| ORB.ENERGY,a.u. | -.046157 | ||
| NORM | .999997 | < R > | 16.433853 | < R2 > | 302.620519 | < 1/R > | .079291 | < 1/R**2 > | .043165 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.008134 | 2.39215388 |
| 2 | 1s | 17.804483 | .00680775 |
| 3 | 2s | 4.736540 | -.94278090 |
| 4 | 3s | 2.200478 | -.64062331 |
| 5 | 4s | 3.998896 | -.48555272 |
| 6 | 5s | 6.455668 | -.08730248 |
| 7 | 4s | 18.679915 | -.00114825 |
| 8 | 5s | .729314 | -.00093619 |
| 9 | 3s | 26.483839 | -.00032082 |
| ORB.ENERGY,a.u. | -.473950 | ||
| NORM | .999999 | < R > | 2.431386 | < R2 > | 6.808821 | < 1/R > | .539683 | < 1/R**2 > | 1.561891 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 13.555272 | .01232654 |
| 2 | 5p | 10.721583 | -.01038039 |
| 3 | 2p | 6.100113 | .54435632 |
| 4 | 3p | 4.698866 | .43367669 |
| 5 | 4p | 3.860736 | .12436924 |
| 6 | 5p | 3.086545 | .01035723 |
| 7 | 3p | 34.838727 | .00003812 |
| 8 | 4p | 1.628617 | .00059454 |
| ORB.ENERGY,a.u. | -3.027200 | ||
| NORM | 1.000000 | < R > | .600396 | < R2 > | .455079 | < 1/R > | 2.205513 | < 1/R**2 > | 6.918060 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.548473 | .34435543 |
| 2 | 2s | 4.447641 | -.77009115 |
| 3 | 3s | 3.927898 | -.17100499 |
| 4 | 3s | 12.618469 | .01453212 |
| 5 | 2s | 6.195778 | -.18833668 |
| 6 | 4s | 21.152283 | .00197525 |
| 7 | 5s | 3.532319 | -.00360205 |
| 8 | 5s | 89.933816 | -.00000462 |
| 9 | 4s | 2.415242 | .00028886 |
| ORB.ENERGY,a.u. | -4.716900 | ||
| NORM | 1.000000 | < R > | .619555 | < R2 > | .458110 | < 1/R > | 2.350691 | < 1/R**2 > | 22.827776 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586524 | 1.01574954 |
| 2 | 2s | 17.924872 | -.02458718 |
| 3 | 3s | 8.778807 | .02363977 |
| 4 | 4s | 41.155084 | -.00021203 |
| 5 | 4s | 29.408746 | .00036667 |
| 6 | 2s | 65.679522 | .00002894 |
| 7 | 5s | 10.828780 | -.00904967 |
| 8 | 3s | 4.258379 | .00027373 |
| 9 | 2s | 124.123900 | -.00000031 |
| ORB.ENERGY,a.u. | -57.648000 |
| NORM | 1.000000 | < R > | .120254 | < R2 > | .019457 | < 1/R > | 12.589518 | < 1/R**2 > | 320.139600 |
Total Energy= -241.72079350 a.u.
Kinetic Energy= 241.72077898 a.u.
Potential Energy= -483.44157248 a.u.
Virial Ratio = -2.00000006