(1s 2 2s 2 2p 4 5d 1 ) 2 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 5d- electron | |
| 1 | 3d | .987728 | 1.70659872 |
| 2 | 4d | .824913 | -5.44234326 |
| 3 | 5d | .800802 | 4.46037639 |
| 4 | 3d | 2.785135 | .03240474 |
| 5 | 5d | 4.090407 | -.00950941 |
| 6 | 4d | 7.189685 | .00307888 |
| 7 | 5d | 11.727235 | .00013209 |
| 8 | 3d | 9.820981 | .00071353 |
| ORB.ENERGY,a.u. | -.323540 | ||
| NORM | .999997 | < R > | 8.497794 | < R2 > | 82.123385 | < 1/R > | .165489 | < 1/R**2 > | .058142 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.697492 | 1.26913297 |
| 2 | 3p | 4.417348 | -.34182794 |
| 3 | 5p | 63.280535 | .00001590 |
| 4 | 5p | 2.863466 | .00112846 |
| 5 | 2p | 9.271965 | .06680573 |
| 6 | 4p | 10.629568 | .01719853 |
| ORB.ENERGY,a.u. | -4.924600 | ||
| NORM | 1.000000 | < R > | .603481 | < R2 > | .451169 | < 1/R > | 2.152312 | < 1/R**2 > | 6.466798 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.827570 | .34979544 |
| 2 | 2s | 4.736028 | -.83270788 |
| 3 | 3s | 4.113637 | -.29414137 |
| 4 | 4s | 14.823281 | .01006735 |
| 5 | 3s | 16.469241 | .00498250 |
| 6 | 5s | 29.274410 | .00043995 |
| 7 | 5s | 4.069868 | -.00333345 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648694 | < R2 > | .498514 | < 1/R > | 2.239313 | < 1/R**2 > | 20.569244 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248207 | .91829199 |
| 2 | 1s | 16.927555 | .07951460 |
| 3 | 2s | 6.353543 | .01948835 |
| 4 | 3s | 7.905733 | -.02014309 |
| 5 | 4s | 10.062983 | .00977158 |
| 6 | 5s | 28.422360 | .00098352 |
| 7 | 4s | 64.430935 | -.00005226 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130350 | < R2 > | .022847 | < 1/R > | 11.610973 | < 1/R**2 > | 272.310741 |
Total Energy= -192.31333036 a.u.
Kinetic Energy= 192.30646903 a.u.
Potential Energy= -384.61979940 a.u.
Virial Ratio = -2.00003568