(1s 2 2s 1 5s 1 ) 1 S Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 1.411907 | 1.06341093 |
| 2 | 2s | 1.704339 | -8.98957578 |
| 3 | 3s | 2.539661 | 9.46016654 |
| 4 | 4s | 1.973428 | -8.48585809 |
| 5 | 5s | 2.033617 | 8.46373776 |
| 6 | 5s | 4.269037 | -.03537783 |
| 7 | 1s | 15.024393 | .00856301 |
| 8 | 5s | 15.612863 | -.00374282 |
| 9 | 4s | 10.912377 | .00915788 |
| ORB.ENERGY,a.u. | -2.107800 | ||
| NORM | .999996 | < R > | 3.559604 | < R2 > | 14.181244 | < 1/R > | .382551 | < 1/R**2 > | .928407 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.270264 | .34127572 |
| 2 | 2s | 3.285605 | -.83073656 |
| 3 | 3s | 7.606481 | -.59233789 |
| 4 | 4s | 4.275769 | .47669545 |
| 5 | 5s | 1.733308 | .82574038 |
| 6 | 5s | 18.548853 | -.00398006 |
| 7 | 4s | 1.493242 | -1.02222254 |
| 8 | 4s | 30.390495 | -.00175209 |
| 9 | 3s | 1.169430 | .21261681 |
| 10 | 3s | 42.311604 | -.00067455 |
| 11 | 2s | 60.941545 | -.00007964 |
| ORB.ENERGY,a.u. | -15.861000 | ||
| NORM | 1.000000 | < R > | .516599 | < R2 > | .347032 | < 1/R > | 2.905175 | < 1/R**2 > | 34.089334 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.433634 | .94100672 |
| 2 | 1s | 20.155851 | .04837103 |
| 3 | 2s | 15.261074 | .01480635 |
| 4 | 3s | 9.386070 | .00219475 |
| 5 | 4s | 50.421087 | -.00058069 |
| 6 | 5s | 66.557194 | .00021580 |
| 7 | 5s | 5.146915 | .00264629 |
| 8 | 4s | 4.090353 | -.00263658 |
| 9 | 3s | .929255 | .00024788 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .118990 | < R2 > | .018963 | < 1/R > | 12.675280 | < 1/R**2 > | 323.545964 |
Total Energy= -179.30135587 a.u.
Kinetic Energy= 179.29187515 a.u.
Potential Energy= -358.59323102 a.u.
Virial Ratio = -2.00005288