(1s 2 2s 2 2p 5 4p 1 ) 1 D Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 4p- electron | |
| 1 | 2p | 4.860457 | .14194162 |
| 2 | 3p | .533866 | 2.68618830 |
| 3 | 4p | 1.543078 | -.91105578 |
| 4 | 5p | 2.973204 | -.12902484 |
| 5 | 3p | 6.951263 | -.02114623 |
| 6 | 5p | .672282 | -1.39635564 |
| 7 | 4p | 20.729833 | -.00035661 |
| 8 | 5p | 62.729564 | -.00001069 |
| 9 | 4p | .377854 | -.07791418 |
| 10 | 5p | .333637 | .01526486 |
| ORB.ENERGY,a.u. | -.378150 | ||
| NORM | 1.000001 | < R > | 5.676974 | < R2 > | 36.455054 | < 1/R > | .240867 | < 1/R**2 > | .171228 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.307882 | 1.29826764 |
| 2 | 3p | 3.917725 | -.41289695 |
| 3 | 2p | 8.459275 | .10599576 |
| 4 | 4p | 9.660053 | .02705356 |
| 5 | 5p | 18.941427 | .00060417 |
| 6 | 5p | .972612 | .00118286 |
| 7 | 4p | 41.338978 | .00003445 |
| ORB.ENERGY,a.u. | -3.690700 | ||
| NORM | 1.000000 | < R > | .640176 | < R2 > | .513305 | < 1/R > | 2.053756 | < 1/R**2 > | 5.963102 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.892831 | .33559114 |
| 2 | 2s | 4.634974 | -.82479037 |
| 3 | 3s | 3.826570 | -.30234243 |
| 4 | 4s | 15.715292 | .00585064 |
| 5 | 3s | 14.417284 | .00647858 |
| 6 | 5s | 33.003200 | .00022961 |
| 7 | 5s | 2.415904 | -.00161442 |
| 8 | 4s | 2.776895 | .00137302 |
| 9 | 3s | 1.262698 | .00065642 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669486 | < R2 > | .533752 | < 1/R > | 2.170316 | < 1/R**2 > | 19.403467 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193159 | .90716431 |
| 2 | 1s | 16.608282 | .09137985 |
| 3 | 2s | 6.092894 | .01903009 |
| 4 | 3s | 7.732484 | -.02091062 |
| 5 | 4s | 9.884157 | .01073661 |
| 6 | 5s | 28.712184 | .00102515 |
| 7 | 4s | 67.620152 | -.00004294 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130498 | < R2 > | .022912 | < 1/R > | 11.603044 | < 1/R**2 > | 272.028043 |
Total Energy= -196.31978246 a.u.
Kinetic Energy= 196.31858474 a.u.
Potential Energy= -392.63836721 a.u.
Virial Ratio = -2.00000610