(1s 2 2p 1 ) 2 P Al 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 5.559957 | .97232057 |
| 2 | 2p | 11.676778 | .01532036 |
| 3 | 2p | 15.747356 | .00486722 |
| 4 | 3p | 8.572530 | .01749108 |
| 5 | 4p | 8.986133 | -.00314311 |
| 6 | 5p | 29.289714 | -.00024822 |
| ORB.ENERGY,a.u. | -15.416000 | ||
| NORM | 1.000000 | < R > | .444034 | < R2 > | .237409 | < 1/R > | 2.830263 | < 1/R**2 > | 10.774335 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.437000 | .93741674 |
| 2 | 1s | 20.321008 | .04891729 |
| 3 | 2s | 16.498344 | .01481652 |
| 4 | 3s | 12.326709 | .00631347 |
| 5 | 4s | 46.959871 | -.00071589 |
| 6 | 5s | 60.970205 | .00028476 |
| 7 | 5s | 9.195607 | .00016189 |
| ORB.ENERGY,a.u. | -73.758000 |
| NORM | 1.000000 | < R > | .119175 | < R2 > | .019031 | < 1/R > | 12.662729 | < 1/R**2 > | 323.068048 |
Total Energy= -176.38762040 a.u.
Kinetic Energy= 176.38760868 a.u.
Potential Energy= -352.77522908 a.u.
Virial Ratio = -2.00000007