(1s 2 2s 2 2p 4 3d 1 ) 2 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 3d- electron | |
| 1 | 3d | 1.716972 | 1.06130937 |
| 2 | 3d | 5.196830 | .02590495 |
| 3 | 4d | 2.267117 | -.07735040 |
| 4 | 5d | 7.740329 | -.00159300 |
| 5 | 5d | 1.625593 | .00877688 |
| 6 | 4d | 29.922115 | .00002452 |
| ORB.ENERGY,a.u. | -1.407700 | ||
| NORM | 1.000000 | < R > | 2.033087 | < R2 > | 4.760737 | < 1/R > | .581664 | < 1/R**2 > | .416062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.144741 | 1.23806547 |
| 2 | 3p | 4.868199 | -.31427730 |
| 3 | 2p | 9.915717 | .07094144 |
| 4 | 4p | 11.492411 | .01520835 |
| 5 | 5p | 30.177398 | -.00014969 |
| 6 | 5p | 3.104921 | .00055596 |
| ORB.ENERGY,a.u. | -6.210100 | ||
| NORM | 1.000000 | < R > | .537538 | < R2 > | .356708 | < 1/R > | 2.406025 | < 1/R**2 > | 8.040569 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.564799 | .36315986 |
| 2 | 2s | 5.243374 | -.83717178 |
| 3 | 3s | 4.628278 | -.29574862 |
| 4 | 4s | 15.606589 | .00944008 |
| 5 | 3s | 17.317876 | .00531904 |
| 6 | 5s | 30.747703 | .00056696 |
| 7 | 5s | 4.118880 | -.00414302 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .586058 | < R2 > | .406221 | < 1/R > | 2.484253 | < 1/R**2 > | 25.297627 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252645 | .92402989 |
| 2 | 1s | 18.421865 | .07306915 |
| 3 | 2s | 7.091985 | .02046687 |
| 4 | 3s | 8.764279 | -.02084407 |
| 5 | 4s | 11.102085 | .00992947 |
| 6 | 5s | 30.658574 | .00085690 |
| 7 | 4s | 67.698579 | -.00005535 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120000 | < R2 > | .019354 | < 1/R > | 12.605766 | < 1/R**2 > | 320.771706 |
Total Energy= -231.49928380 a.u.
Kinetic Energy= 231.45536099 a.u.
Potential Energy= -462.95464478 a.u.
Virial Ratio = -2.00018977