(1s 2 2s 2 2p 5 4s 1 ) 1 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
| 1 | 1s | 12.067828 | .05119138 |
| 2 | 2s | 1.908184 | -.80060103 |
| 3 | 3s | 1.898773 | 1.94732748 |
| 4 | 4s | 1.249424 | -1.47019859 |
| 5 | 5s | 2.722063 | -.25605012 |
| 6 | 4s | 8.802616 | -.04520054 |
| 7 | 5s | 16.018435 | -.01138248 |
| 8 | 4s | 21.644351 | -.00422750 |
| 9 | 5s | 55.085017 | -.00008621 |
| 10 | 2s | 71.204548 | .00001492 |
| ORB.ENERGY,a.u. | -.742180 | ||
| NORM | 1.000000 | < R > | 4.076253 | < R2 > | 18.674847 | < 1/R > | .334696 | < 1/R**2 > | .816447 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.833527 | 1.30154643 |
| 2 | 3p | 4.563743 | -.39190942 |
| 3 | 2p | 9.533686 | .08683260 |
| 4 | 5p | 77.907267 | .00000998 |
| 5 | 4p | 11.222255 | .01852040 |
| 6 | 5p | 2.743196 | .01145020 |
| 7 | 4p | 2.410488 | -.01265821 |
| ORB.ENERGY,a.u. | -5.269800 | ||
| NORM | 1.000000 | < R > | .565872 | < R2 > | .398737 | < 1/R > | 2.308249 | < 1/R**2 > | 7.479000 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.704977 | .30322925 |
| 2 | 2s | 4.166134 | -.76980981 |
| 3 | 3s | 7.304453 | -.23141360 |
| 4 | 4s | 5.407863 | -.05417580 |
| 5 | 5s | 15.292261 | -.00971261 |
| 6 | 5s | 1.493823 | -.01916852 |
| 7 | 4s | 59.037663 | -.00003123 |
| 8 | 3s | 1.149104 | .04605478 |
| 9 | 2s | .944648 | -.03380440 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .601349 | < R2 > | .429391 | < 1/R > | 2.419741 | < 1/R**2 > | 24.083202 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197317 | .91359524 |
| 2 | 1s | 18.060584 | .08416473 |
| 3 | 2s | 7.154811 | .01869066 |
| 4 | 3s | 9.070665 | -.01960714 |
| 5 | 4s | 11.387148 | .01047049 |
| 6 | 5s | 30.912081 | .00090638 |
| 7 | 3s | 48.243739 | -.00010090 |
| 8 | 5s | 1.554336 | .00064970 |
| 9 | 4s | 1.574416 | -.00047469 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120149 | < R2 > | .019415 | < 1/R > | 12.596212 | < 1/R**2 > | 320.399791 |
Total Energy= -236.39016542 a.u.
Kinetic Energy= 236.38413983 a.u.
Potential Energy= -472.77430525 a.u.
Virial Ratio = -2.00002549