(1s 2 2s 2 2p 1 3p 1 ) 3 D Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3231.
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 | 3p- electron | |
| 1 | 2p | 3.687838 | .56968035 |
| 2 | 3p | 2.507801 | -1.29316595 |
| 3 | 2p | 7.918271 | .07344162 |
| 4 | 4p | 9.007141 | .02438219 |
| 5 | 5p | 2.569443 | .02038802 |
| 6 | 5p | 16.912621 | .00170225 |
| 7 | 4p | 29.344853 | .00011186 |
| ORB.ENERGY,a.u. | -3.190700 | ||
| NORM | 1.000000 | < R > | 1.530251 | < R2 > | 2.676185 | < 1/R > | .884050 | < 1/R**2 > | 1.623351 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.689365 | 1.08184722 |
| 2 | 3p | 5.760331 | -.10639501 |
| 3 | 2p | 10.879253 | .02292555 |
| 4 | 5p | 12.354182 | .00369113 |
| 5 | 4p | 23.150664 | -.00101189 |
| 6 | 5p | 4.623696 | .01328516 |
| 7 | 5p | 69.433735 | -.00002505 |
| 8 | 4p | 3.995415 | -.00503514 |
| ORB.ENERGY,a.u. | -9.046000 | ||
| NORM | 1.000000 | < R > | .520772 | < R2 > | .329373 | < 1/R > | 2.436425 | < 1/R**2 > | 8.070441 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.539516 | .34494345 |
| 2 | 2s | 4.257355 | -.79759464 |
| 3 | 3s | 6.402987 | -.27638660 |
| 4 | 4s | 22.821004 | .00146244 |
| 5 | 5s | 12.581545 | -.01392932 |
| 6 | 5s | 5.031820 | .01794814 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .595053 | < R2 > | .415328 | < 1/R > | 2.449978 | < 1/R**2 > | 24.329960 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193091 | .92306306 |
| 2 | 1s | 17.424401 | .07872039 |
| 3 | 2s | 9.889930 | .01714916 |
| 4 | 3s | 12.672825 | -.01600977 |
| 5 | 4s | 61.952373 | -.00006528 |
| 6 | 5s | 27.631348 | .00106737 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129680 | < R2 > | .022556 | < 1/R > | 11.648237 | < 1/R**2 > | 273.653153 |
Total Energy= -174.87373190 a.u.
Kinetic Energy= 174.92185185 a.u.
Potential Energy= -349.79558375 a.u.
Virial Ratio = -1.99972491