(1s 2 2s 2 2p 5 ) 2 P Mg 3+
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 | 3.179231 | .59814079 |
| 2 | 2p | 5.420919 | .54241314 |
| 3 | 3p | 7.416577 | -.13280274 |
| 4 | 4p | 10.167538 | .02201852 |
| 5 | 5p | 5.229342 | .01336229 |
| 6 | 5p | 2.989407 | .00265075 |
| 7 | 3p | 38.082473 | .00002554 |
| ORB.ENERGY,a.u. | -3.957100 | ||
| NORM | 1.000000 | < R > | .639840 | < R2 > | .512698 | < 1/R > | 2.054663 | < 1/R**2 > | 5.967799 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.858757 | .33753997 |
| 2 | 2s | 4.649195 | -.83587973 |
| 3 | 3s | 3.635690 | -.32532689 |
| 4 | 4s | 18.720178 | .00178001 |
| 5 | 3s | 12.424629 | .01372978 |
| 6 | 5s | 4.025093 | .03576364 |
| 7 | 4s | 2.972332 | -.00151861 |
| 8 | 2s | 52.947787 | .00001125 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .669017 | < R2 > | .532897 | < 1/R > | 2.171698 | < 1/R**2 > | 19.425993 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.238985 | .92012806 |
| 2 | 1s | 17.199058 | .07694447 |
| 3 | 2s | 8.646061 | .01677430 |
| 4 | 3s | 14.547457 | -.00972087 |
| 5 | 4s | 22.005482 | .00337875 |
| 6 | 5s | 41.224272 | .00011715 |
| 7 | 4s | 6.062121 | .00083314 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130494 | < R2 > | .022911 | < 1/R > | 11.603270 | < 1/R**2 > | 272.036236 |
Total Energy= -195.94046792 a.u.
Kinetic Energy= 195.94047246 a.u.
Potential Energy= -391.88094038 a.u.
Virial Ratio = -1.99999998