(1s 2 2s 2 2p 5 4d 1 ) 3 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 4d- electron | |
| 1 | 3d | 1.213437 | 1.14739647 |
| 2 | 4d | 1.018056 | -1.68969326 |
| 3 | 3d | 4.280225 | .04370721 |
| 4 | 4d | 2.803042 | .05069009 |
| 5 | 5d | 7.053165 | -.00331022 |
| 6 | 4d | 26.440694 | .00003284 |
| ORB.ENERGY,a.u. | -.525040 | ||
| NORM | 1.000000 | < R > | 4.928062 | < R2 > | 27.977960 | < 1/R > | .276030 | < 1/R**2 > | .133004 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.829421 | 1.30285452 |
| 2 | 3p | 4.556073 | -.39437039 |
| 3 | 2p | 9.519432 | .08749802 |
| 4 | 4p | 11.192427 | .01873757 |
| 5 | 5p | 78.479684 | .00000981 |
| 6 | 5p | 2.622318 | .01252594 |
| 7 | 4p | 2.270277 | -.01344321 |
| ORB.ENERGY,a.u. | -5.292400 | ||
| NORM | 1.000000 | < R > | .565804 | < R2 > | .398708 | < 1/R > | 2.308785 | < 1/R**2 > | 7.482819 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.642996 | .34932432 |
| 2 | 2s | 5.138750 | -.82802632 |
| 3 | 3s | 4.357114 | -.30212985 |
| 4 | 4s | 16.688267 | .00536499 |
| 5 | 3s | 15.455986 | .00651575 |
| 6 | 5s | 33.984146 | .00030305 |
| 7 | 5s | 3.462023 | -.00087851 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602164 | < R2 > | .430478 | < 1/R > | 2.416791 | < 1/R**2 > | 24.030939 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197340 | .91350181 |
| 2 | 1s | 18.071044 | .08416153 |
| 3 | 2s | 6.986928 | .01939340 |
| 4 | 3s | 8.839017 | -.02058557 |
| 5 | 4s | 11.210081 | .01067877 |
| 6 | 5s | 31.118524 | .00096870 |
| 7 | 4s | 73.029861 | -.00003834 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120143 | < R2 > | .019412 | < 1/R > | 12.596566 | < 1/R**2 > | 320.414272 |
Total Energy= -236.16161944 a.u.
Kinetic Energy= 236.16791017 a.u.
Potential Energy= -472.32952961 a.u.
Virial Ratio = -1.99997336