(1s 2 2s 2 2p 5 3s 1 ) 3 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 10.823043 | .11418615 |
| 2 | 2s | 4.163956 | -.43445723 |
| 3 | 3s | 1.955980 | 1.08966114 |
| 4 | 4s | 9.156912 | -.01721854 |
| 5 | 5s | 4.866137 | -.03955913 |
| 6 | 4s | 1.711429 | .03870368 |
| 7 | 5s | 15.261010 | -.00323232 |
| 8 | 5s | 71.759747 | -.00000914 |
| ORB.ENERGY,a.u. | -1.583400 | ||
| NORM | 1.000000 | < R > | 1.937850 | < R2 > | 4.265210 | < 1/R > | .699257 | < 1/R**2 > | 2.859831 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.731847 | 1.33101242 |
| 2 | 3p | 4.390714 | -.43431594 |
| 3 | 2p | 9.339367 | .09683638 |
| 4 | 3p | 16.967215 | .00012903 |
| 5 | 4p | 10.966668 | .01993175 |
| 6 | 5p | 2.555398 | .01621740 |
| 7 | 4p | 2.248487 | -.01739079 |
| 8 | 5p | 34.030553 | -.00010736 |
| ORB.ENERGY,a.u. | -5.024000 | ||
| NORM | 1.000000 | < R > | .567913 | < R2 > | .402287 | < 1/R > | 2.302711 | < 1/R**2 > | 7.449268 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.759449 | .30027629 |
| 2 | 2s | 4.083029 | -.77454679 |
| 3 | 3s | 7.422518 | -.23301581 |
| 4 | 4s | 5.926706 | -.04663464 |
| 5 | 5s | 15.358732 | -.00937150 |
| 6 | 5s | 3.139592 | -.00594494 |
| 7 | 4s | 57.572880 | -.00003247 |
| 8 | 3s | 1.506484 | -.00184870 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .603957 | < R2 > | .433931 | < 1/R > | 2.412066 | < 1/R**2 > | 23.955056 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.201852 | .91435915 |
| 2 | 1s | 18.090430 | .08326679 |
| 3 | 2s | 6.787600 | .02013048 |
| 4 | 3s | 8.522535 | -.02111967 |
| 5 | 4s | 10.923735 | .01048563 |
| 6 | 5s | 31.151976 | .00090421 |
| 7 | 4s | 70.739300 | -.00004342 |
| 8 | 5s | 2.755697 | .00016840 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120142 | < R2 > | .019411 | < 1/R > | 12.596582 | < 1/R**2 > | 320.412377 |
Total Energy= -237.21578372 a.u.
Kinetic Energy= 237.22361872 a.u.
Potential Energy= -474.43940243 a.u.
Virial Ratio = -1.99996697