(1s 2 2s 2 2p 2 3s 1 ) 4 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 3s- electron | |
| 1 | 1s | 10.579163 | .17215663 |
| 2 | 2s | 3.888818 | -.83572797 |
| 3 | 3s | 2.742044 | 1.40245575 |
| 4 | 4s | 9.109108 | -.03723613 |
| 5 | 5s | 15.547839 | -.00459217 |
| 6 | 4s | 44.465538 | -.00003322 |
| ORB.ENERGY,a.u. | -3.631800 | ||
| NORM | 1.000000 | < R > | 1.464363 | < R2 > | 2.434171 | < 1/R > | .975181 | < 1/R**2 > | 5.782098 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.726463 | 1.21136899 |
| 2 | 3p | 5.483290 | -.24393213 |
| 3 | 2p | 12.024665 | .02637524 |
| 4 | 4p | 13.213779 | .00603499 |
| 5 | 5p | 27.811217 | -.00030747 |
| 6 | 5p | 3.696596 | .00152229 |
| ORB.ENERGY,a.u. | -9.678200 | ||
| NORM | 1.000000 | < R > | .492806 | < R2 > | .296152 | < 1/R > | 2.586389 | < 1/R**2 > | 9.139938 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.276838 | .39943313 |
| 2 | 2s | 5.521920 | -.86657230 |
| 3 | 3s | 5.150955 | -.29133033 |
| 4 | 4s | 21.958782 | .00227830 |
| 5 | 3s | 11.834357 | .02507899 |
| 6 | 5s | 3.970682 | -.01269988 |
| 7 | 4s | 2.391080 | -.00218339 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .557845 | < R2 > | .366734 | < 1/R > | 2.619069 | < 1/R**2 > | 27.934259 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.166413 | .92136035 |
| 2 | 1s | 18.729131 | .07885685 |
| 3 | 2s | 10.610196 | .01844931 |
| 4 | 3s | 13.932241 | -.01527206 |
| 5 | 5s | 30.451981 | .00103146 |
| 6 | 4s | 70.285292 | -.00004980 |
| 7 | 5s | 3.432279 | .00039771 |
| 8 | 3s | 3.874284 | .00026782 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119590 | < R2 > | .019191 | < 1/R > | 12.632522 | < 1/R**2 > | 321.814369 |
Total Energy= -217.82951776 a.u.
Kinetic Energy= 217.85613986 a.u.
Potential Energy= -435.68565762 a.u.
Virial Ratio = -1.99987780