(1s 2 2s 2 2p 4 3s 1 ) 4 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 3s- electron | |
| 1 | 1s | 10.376288 | .11601746 |
| 2 | 2s | 3.531675 | -.47547127 |
| 3 | 3s | 1.871788 | 1.14177271 |
| 4 | 4s | 8.708935 | -.04442006 |
| 5 | 5s | 16.039153 | -.00597065 |
| 6 | 4s | 23.020275 | -.00144694 |
| 7 | 5s | 1.402456 | .01385248 |
| 8 | 5s | 60.330344 | -.00003718 |
| 9 | 4s | 1.169733 | -.01026459 |
| 10 | 2s | 84.221828 | .00000439 |
| ORB.ENERGY,a.u. | -1.520600 | ||
| NORM | 1.000000 | < R > | 2.012937 | < R2 > | 4.606876 | < 1/R > | .683393 | < 1/R**2 > | 2.792654 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.635795 | 1.27683899 |
| 2 | 2p | 9.020906 | .07528443 |
| 3 | 3p | 4.316504 | -.35698444 |
| 4 | 4p | 10.262471 | .01795500 |
| 5 | 5p | 29.897058 | -.00014100 |
| 6 | 5p | 3.101936 | .01413208 |
| 7 | 4p | 2.838625 | -.01302337 |
| ORB.ENERGY,a.u. | -4.522400 | ||
| NORM | 1.000000 | < R > | .606665 | < R2 > | .456904 | < 1/R > | 2.144354 | < 1/R**2 > | 6.426223 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.817528 | .30161014 |
| 2 | 2s | 3.745307 | -.81809210 |
| 3 | 3s | 6.413327 | -.23001669 |
| 4 | 4s | 2.524216 | -.02248950 |
| 5 | 5s | 12.929794 | -.01637360 |
| 6 | 4s | 14.290927 | -.00548272 |
| 7 | 3s | 2.679276 | .02563400 |
| 8 | 2s | 79.706728 | .00000492 |
| 9 | 4s | 1.616415 | -.00149091 |
| 10 | 5s | 55.348525 | -.00004569 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .653152 | < R2 > | .507584 | < 1/R > | 2.228617 | < 1/R**2 > | 20.405814 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247303 | .91758621 |
| 2 | 1s | 16.870580 | .08037123 |
| 3 | 2s | 6.127552 | .01826879 |
| 4 | 3s | 7.605306 | -.01761220 |
| 5 | 4s | 9.962393 | .00816018 |
| 6 | 5s | 28.678341 | .00104676 |
| 7 | 4s | 66.978661 | -.00004352 |
| 8 | 5s | 2.616953 | .00039578 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130342 | < R2 > | .022844 | < 1/R > | 11.611322 | < 1/R**2 > | 272.320512 |
Total Energy= -193.48506833 a.u.
Kinetic Energy= 193.50142232 a.u.
Potential Energy= -386.98649065 a.u.
Virial Ratio = -1.99991548