(1s 2 2s 2 2p 3 5p 1 ) 3 P Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 2.884831 | .19740711 |
| 2 | 3p | 1.421111 | -1.90471626 |
| 3 | 4p | 1.189467 | 4.41281155 |
| 4 | 5p | 1.067984 | -3.26111766 |
| 5 | 2p | 6.771540 | .04022336 |
| 6 | 5p | 17.608395 | -.00069991 |
| 7 | 4p | 25.517465 | -.00029466 |
| 8 | 5p | .965585 | -.05983296 |
| ORB.ENERGY,a.u. | -.568740 | ||
| NORM | 1.000004 | < R > | 6.418047 | < R2 > | 46.290336 | < 1/R > | .217816 | < 1/R**2 > | .156797 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.270021 | 1.43434776 |
| 2 | 3p | 5.548083 | -.54930575 |
| 3 | 4p | 6.911221 | .11024358 |
| 4 | 5p | 1.437281 | .12493045 |
| 5 | 4p | 1.211160 | -.13935735 |
| 6 | 4p | 17.365430 | -.00305275 |
| 7 | 3p | 19.441951 | -.00116700 |
| 8 | 3p | 1.547987 | .02428682 |
| 9 | 5p | .816804 | -.00321954 |
| ORB.ENERGY,a.u. | -6.616500 | ||
| NORM | 1.000000 | < R > | .569207 | < R2 > | .399738 | < 1/R > | 2.256988 | < 1/R**2 > | 7.024110 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.761471 | .36454581 |
| 2 | 2s | 4.835468 | -.83934522 |
| 3 | 3s | 4.508702 | -.28027093 |
| 4 | 4s | 19.320446 | .00250953 |
| 5 | 3s | 11.812666 | .01604796 |
| 6 | 5s | 4.623489 | -.01805006 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .629289 | < R2 > | .467128 | < 1/R > | 2.309552 | < 1/R**2 > | 21.790420 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.167253 | .91184206 |
| 2 | 1s | 17.087429 | .08750788 |
| 3 | 2s | 9.772808 | .01782469 |
| 4 | 3s | 13.871647 | -.01495621 |
| 5 | 4s | 22.014150 | .00341728 |
| 6 | 5s | 40.214928 | .00010260 |
| 7 | 5s | 8.206918 | .00072738 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130170 | < R2 > | .022768 | < 1/R > | 11.620793 | < 1/R**2 > | 272.662532 |
Total Energy= -187.43591971 a.u.
Kinetic Energy= 187.42906931 a.u.
Potential Energy= -374.86498902 a.u.
Virial Ratio = -2.00003655