(1s 2 2s 1 3d 1 ) 3 D Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 3.049732 | 1.00020087 |
| 2 | 3d | 5.860797 | .02516014 |
| 3 | 4d | 11.083204 | -.00211074 |
| 4 | 5d | 3.794094 | -.01838302 |
| ORB.ENERGY,a.u. | -4.601300 | ||
| NORM | 1.000000 | < R > | 1.130098 | < R2 > | 1.464787 | < 1/R > | 1.037161 | < 1/R**2 > | 1.298704 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.135234 | .38996342 |
| 2 | 2s | 4.846796 | -.78466005 |
| 3 | 3s | 6.189313 | -.29335703 |
| 4 | 5s | 10.856204 | -.02707909 |
| 5 | 4s | 22.304183 | .00503286 |
| 6 | 5s | 30.470197 | -.00116607 |
| 7 | 4s | 85.267279 | .00001117 |
| ORB.ENERGY,a.u. | -12.543000 | ||
| NORM | 1.000000 | < R > | .563904 | < R2 > | .371336 | < 1/R > | 2.602461 | < 1/R**2 > | 27.346132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.426888 | .93815101 |
| 2 | 1s | 18.646326 | .05146639 |
| 3 | 2s | 14.315544 | .01478816 |
| 4 | 3s | 9.034475 | .00214875 |
| 5 | 4s | 46.382474 | -.00064713 |
| 6 | 5s | 61.223374 | .00024481 |
| 7 | 5s | 6.235776 | .00019173 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129234 | < R2 > | .022376 | < 1/R > | 11.675912 | < 1/R**2 > | 274.697148 |
Total Energy= -154.92017896 a.u.
Kinetic Energy= 154.68527843 a.u.
Potential Energy= -309.60545740 a.u.
Virial Ratio = -2.00151857