(1s 2 2s 2 2p 5 5s 1 ) 3 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 10.579118 | .03303000 |
| 2 | 2s | 3.364444 | -.13759085 |
| 3 | 3s | 1.419906 | .73722141 |
| 4 | 4s | .911103 | -2.03091876 |
| 5 | 5s | .741789 | 2.03453216 |
| 6 | 5s | 9.691462 | -.01159146 |
| 7 | 4s | 12.506648 | -.00775011 |
| 8 | 5s | 31.990213 | -.00025037 |
| 9 | 4s | 47.442928 | -.00006368 |
| ORB.ENERGY,a.u. | -.260830 | ||
| NORM | .999996 | < R > | 8.661914 | < R2 > | 84.062984 | < 1/R > | .161380 | < 1/R**2 > | .250267 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.323494 | 1.33374977 |
| 2 | 3p | 3.969557 | -.43700778 |
| 3 | 2p | 8.666706 | .09524788 |
| 4 | 4p | 9.925797 | .02599380 |
| 5 | 5p | 20.801044 | .00065175 |
| 6 | 5p | 2.355393 | .01236080 |
| 7 | 4p | 37.669331 | .00008526 |
| 8 | 4p | 2.070684 | -.01361839 |
| ORB.ENERGY,a.u. | -3.794200 | ||
| NORM | 1.000000 | < R > | .640205 | < R2 > | .513381 | < 1/R > | 2.053835 | < 1/R**2 > | 5.963778 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.945031 | .28851086 |
| 2 | 2s | 3.609949 | -.76896278 |
| 3 | 3s | 6.914549 | -.23217399 |
| 4 | 4s | 5.692197 | -.05144748 |
| 5 | 5s | 13.954551 | -.00985461 |
| 6 | 5s | 1.290078 | .00238832 |
| 7 | 4s | 2.536301 | -.00222906 |
| 8 | 3s | 38.259455 | -.00007415 |
| 9 | 2s | .403996 | -.00230154 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669196 | < R2 > | .533342 | < 1/R > | 2.171303 | < 1/R**2 > | 19.420209 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90715969 |
| 2 | 1s | 16.607421 | .09138199 |
| 3 | 2s | 6.086236 | .01904190 |
| 4 | 3s | 7.733159 | -.02091482 |
| 5 | 4s | 9.897072 | .01070636 |
| 6 | 5s | 28.803809 | .00103561 |
| 7 | 4s | 67.768312 | -.00004065 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130493 | < R2 > | .022910 | < 1/R > | 11.603287 | < 1/R**2 > | 272.036674 |
Total Energy= -196.20040864 a.u.
Kinetic Energy= 196.20110757 a.u.
Potential Energy= -392.40151621 a.u.
Virial Ratio = -1.99999644