(1s 2 2s 2 2p 5 3p 1 ) 1 D Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p- electron | |
| 1 | 2p | 3.699040 | .38068301 |
| 2 | 3p | 1.703555 | -1.02498188 |
| 3 | 4p | 5.812926 | -.06868401 |
| 4 | 2p | 9.498639 | .03162875 |
| 5 | 5p | 15.469501 | .00244327 |
| 6 | 4p | 20.616965 | .00025100 |
| 7 | 5p | 2.441216 | -.01802092 |
| 8 | 4p | 1.522295 | -.03296037 |
| ORB.ENERGY,a.u. | -1.276900 | ||
| NORM | 1.000000 | < R > | 2.166582 | < R2 > | 5.352691 | < 1/R > | .602802 | < 1/R**2 > | .785325 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.862735 | 1.29363154 |
| 2 | 3p | 4.614584 | -.38133611 |
| 3 | 2p | 9.504048 | .08552769 |
| 4 | 4p | 11.219721 | .01580606 |
| 5 | 4p | 1.462995 | .00477620 |
| 6 | 5p | 1.717299 | -.00516516 |
| 7 | 4p | 22.904290 | -.00030040 |
| ORB.ENERGY,a.u. | -4.963900 | ||
| NORM | 1.000000 | < R > | .566079 | < R2 > | .398870 | < 1/R > | 2.307020 | < 1/R**2 > | 7.471093 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.650964 | .34828435 |
| 2 | 2s | 5.131017 | -.82701501 |
| 3 | 3s | 4.352229 | -.30188512 |
| 4 | 4s | 16.660030 | .00501870 |
| 5 | 3s | 15.306227 | .00679833 |
| 6 | 5s | 33.457669 | .00031369 |
| 7 | 5s | 3.391606 | -.00243866 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .603355 | < R2 > | .432399 | < 1/R > | 2.412269 | < 1/R**2 > | 23.948323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.196366 | .91372796 |
| 2 | 1s | 18.086766 | .08394187 |
| 3 | 2s | 7.002716 | .01941239 |
| 4 | 3s | 8.829117 | -.02060202 |
| 5 | 4s | 11.167322 | .01076303 |
| 6 | 5s | 31.079084 | .00091733 |
| 7 | 4s | 70.982794 | -.00004255 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120160 | < R2 > | .019418 | < 1/R > | 12.595468 | < 1/R**2 > | 320.370873 |
Total Energy= -236.92455826 a.u.
Kinetic Energy= 236.91938875 a.u.
Potential Energy= -473.84394701 a.u.
Virial Ratio = -2.00002182