(1s 2 2s 2 2p 6 3p 1 ) 2 P Mg +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | .755404 | -.45651907 |
| 2 | 3p | 1.015691 | -.59396449 |
| 3 | 2p | 2.349550 | .15271576 |
| 4 | 2p | 5.010608 | .13390533 |
| 5 | 3p | 6.601858 | -.02886304 |
| 6 | 4p | 17.406839 | -.00071840 |
| 7 | 5p | 41.024188 | -.00003033 |
| 8 | 5p | .700161 | .00289444 |
| 9 | 2p | 51.687697 | .00000433 |
| ORB.ENERGY,a.u. | -.383890 | ||
| NORM | 1.000000 | < R > | 3.515163 | < R2 > | 14.214576 | < 1/R > | .361011 | < 1/R**2 > | .277761 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.630162 | .49707171 |
| 2 | 3p | 4.235950 | .45800220 |
| 3 | 4p | 3.335091 | .14778545 |
| 4 | 5p | 2.481805 | .00479760 |
| 5 | 2p | 11.210945 | .01831356 |
| 6 | 5p | 15.084817 | .00244251 |
| 7 | 4p | 67.444132 | .00000661 |
| 8 | 3p | 140.026397 | .00000065 |
| 9 | 5p | 1.056135 | .00013365 |
| ORB.ENERGY,a.u. | -2.461100 | ||
| NORM | 1.000000 | < R > | .682100 | < R2 > | .591064 | < 1/R > | 1.956500 | < 1/R**2 > | 5.490830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.521530 | .29681343 |
| 2 | 2s | 4.685487 | -.76565174 |
| 3 | 3s | 3.752123 | -.35780965 |
| 4 | 4s | 14.846956 | .02526322 |
| 5 | 3s | 22.045446 | .01437763 |
| 6 | 4s | 2.423649 | -.01753118 |
| 7 | 5s | 23.323681 | .00443097 |
| 8 | 5s | 2.557174 | .00862558 |
| 9 | 2s | 33.468702 | .00161256 |
| ORB.ENERGY,a.u. | -3.955800 | ||
| NORM | 1.000000 | < R > | .691068 | < R2 > | .572302 | < 1/R > | 2.105337 | < 1/R**2 > | 18.340425 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.589061 | 1.01743736 |
| 2 | 2s | 16.678039 | -.02557218 |
| 3 | 3s | 7.760818 | .02484027 |
| 4 | 4s | 41.661513 | -.00028325 |
| 5 | 4s | 9.146299 | .00230700 |
| 6 | 5s | 9.846133 | -.01177628 |
| 7 | 2s | 97.041344 | .00000608 |
| 8 | 3s | 3.590663 | .00216627 |
| 9 | 2s | 3.087198 | -.00273141 |
| 10 | 5s | 90.857266 | -.00001109 |
| ORB.ENERGY,a.u. | -48.571000 |
| NORM | 1.000000 | < R > | .130602 | < R2 > | .022959 | < 1/R > | 11.597563 | < 1/R**2 > | 271.834295 |
Total Energy= -199.21465880 a.u.
Kinetic Energy= 199.21464771 a.u.
Potential Energy= -398.42930651 a.u.
Virial Ratio = -2.00000006