(1s 2 2s 2 2p 5 4p 1 ) 3 D Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 4p- electron | |
| 1 | 2p | 5.608746 | .16032289 |
| 2 | 3p | .755614 | 2.44206110 |
| 3 | 4p | 1.929980 | -1.03336633 |
| 4 | 5p | 3.633889 | -.14278862 |
| 5 | 3p | 8.598441 | -.01343672 |
| 6 | 5p | .906620 | -1.04271661 |
| 7 | 4p | 44.664585 | -.00003670 |
| 8 | 5p | 28.985971 | -.00023108 |
| 9 | 4p | .515538 | -.01110418 |
| ORB.ENERGY,a.u. | -.650600 | ||
| NORM | .999999 | < R > | 4.405594 | < R2 > | 21.954868 | < 1/R > | .315834 | < 1/R**2 > | .303684 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.849128 | 1.28964858 |
| 2 | 3p | 4.580094 | -.38130774 |
| 3 | 5p | 71.906256 | .00001304 |
| 4 | 2p | 9.551364 | .08637680 |
| 5 | 4p | 11.166936 | .01883444 |
| 6 | 4p | 1.700875 | .00278913 |
| 7 | 5p | 1.649852 | -.00239984 |
| 8 | 4p | 15.975547 | .00023427 |
| ORB.ENERGY,a.u. | -5.271300 | ||
| NORM | 1.000000 | < R > | .565834 | < R2 > | .398711 | < 1/R > | 2.308486 | < 1/R**2 > | 7.480585 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.654608 | .34860925 |
| 2 | 2s | 5.133579 | -.82572065 |
| 3 | 3s | 4.387037 | -.30033102 |
| 4 | 4s | 17.007218 | .00496757 |
| 5 | 3s | 15.344684 | .00653783 |
| 6 | 5s | 34.584047 | .00025810 |
| 7 | 5s | 4.343047 | -.00439264 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602372 | < R2 > | .430775 | < 1/R > | 2.415839 | < 1/R**2 > | 24.012756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.196893 | .91350621 |
| 2 | 1s | 18.071617 | .08416236 |
| 3 | 2s | 6.982549 | .01941385 |
| 4 | 3s | 8.829702 | -.02060685 |
| 5 | 4s | 11.196006 | .01070784 |
| 6 | 5s | 30.950224 | .00095663 |
| 7 | 4s | 73.048517 | -.00004195 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120150 | < R2 > | .019414 | < 1/R > | 12.596093 | < 1/R**2 > | 320.395447 |
Total Energy= -236.28899027 a.u.
Kinetic Energy= 236.29331954 a.u.
Potential Energy= -472.58230981 a.u.
Virial Ratio = -1.99998168