(1s 2 2s 2 2p 5 5p 1 ) 3 S Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 3.379908 | .09528981 |
| 2 | 3p | 1.252788 | -.75096437 |
| 3 | 4p | .800162 | 2.39917269 |
| 4 | 5p | .692266 | -2.37882895 |
| 5 | 2p | 6.875863 | .02921743 |
| 6 | 5p | 9.698931 | .00335256 |
| 7 | 4p | 23.791630 | -.00017826 |
| ORB.ENERGY,a.u. | -.232070 | ||
| NORM | 1.000003 | < R > | 9.417520 | < R2 > | 99.757449 | < 1/R > | .151255 | < 1/R**2 > | .092322 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.353444 | 1.32957793 |
| 2 | 3p | 3.992807 | -.41925703 |
| 3 | 2p | 8.695271 | .09201320 |
| 4 | 5p | .625061 | .00148318 |
| 5 | 4p | 10.248206 | .01989215 |
| 6 | 4p | 1.117345 | -.00246132 |
| 7 | 3p | 1.502909 | .00360944 |
| 8 | 5p | 73.932659 | .00000974 |
| 9 | 5p | 6.555620 | -.00799160 |
| ORB.ENERGY,a.u. | -3.799500 | ||
| NORM | 1.000000 | < R > | .640304 | < R2 > | .513681 | < 1/R > | 2.053670 | < 1/R**2 > | 5.963095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891377 | .33577637 |
| 2 | 2s | 4.636492 | -.82504091 |
| 3 | 3s | 3.824611 | -.30292021 |
| 4 | 4s | 15.610215 | .00616809 |
| 5 | 3s | 14.610088 | .00624514 |
| 6 | 5s | 32.707224 | .00023785 |
| 7 | 5s | 2.512753 | -.00174789 |
| 8 | 4s | 2.887115 | .00238201 |
| 9 | 3s | 1.371249 | .00059664 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669243 | < R2 > | .533310 | < 1/R > | 2.171041 | < 1/R**2 > | 19.415353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193295 | .90716223 |
| 2 | 1s | 16.607906 | .09138059 |
| 3 | 2s | 6.093425 | .01902640 |
| 4 | 3s | 7.734098 | -.02090633 |
| 5 | 4s | 9.886886 | .01072661 |
| 6 | 5s | 28.734421 | .00102909 |
| 7 | 4s | 67.692427 | -.00004221 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130495 | < R2 > | .022911 | < 1/R > | 11.603167 | < 1/R**2 > | 272.032494 |
Total Energy= -196.16730437 a.u.
Kinetic Energy= 196.17249253 a.u.
Potential Energy= -392.33979690 a.u.
Virial Ratio = -1.99997355