(1s 2 2s 1 5d 1 ) 3 D Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 1.772037 | 3.55828164 |
| 2 | 4d | 1.801664 | -9.07522142 |
| 3 | 5d | 1.818989 | 6.13851235 |
| 4 | 3d | 3.762811 | .04066554 |
| 5 | 5d | 24.964176 | .00001120 |
| 6 | 5d | 1.559627 | .03274962 |
| 7 | 4d | 8.242453 | .00511378 |
| 8 | 3d | 13.574043 | .00055439 |
| ORB.ENERGY,a.u. | -1.640400 | ||
| NORM | .999998 | < R > | 3.782957 | < R2 > | 16.233785 | < 1/R > | .365913 | < 1/R**2 > | .271855 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.922218 | .40567463 |
| 2 | 2s | 5.062114 | -.78927007 |
| 3 | 3s | 5.952818 | -.30485620 |
| 4 | 5s | 10.261849 | -.02800865 |
| 5 | 4s | 20.672097 | .00903841 |
| 6 | 5s | 27.235816 | -.00244068 |
| 7 | 4s | 71.516901 | .00003183 |
| ORB.ENERGY,a.u. | -13.140000 | ||
| NORM | 1.000000 | < R > | .559800 | < R2 > | .365447 | < 1/R > | 2.622142 | < 1/R**2 > | 27.735729 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.426787 | .93812941 |
| 2 | 1s | 18.647692 | .05147114 |
| 3 | 2s | 14.324022 | .01477933 |
| 4 | 3s | 9.117868 | .00216045 |
| 5 | 4s | 46.490512 | -.00063487 |
| 6 | 5s | 61.457612 | .00023693 |
| 7 | 5s | 6.473959 | .00020646 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129236 | < R2 > | .022376 | < 1/R > | 11.675780 | < 1/R**2 > | 274.691740 |
Total Energy= -151.76125451 a.u.
Kinetic Energy= 151.72478060 a.u.
Potential Energy= -303.48603511 a.u.
Virial Ratio = -2.00024040