(1s 2 2s 2 2p 1 4d 1 ) 1 F Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 4d- electron | |
| 1 | 3d | 1.964662 | 1.43797621 |
| 2 | 4d | 1.727411 | -1.92883317 |
| 3 | 3d | 4.838830 | .00984763 |
| 4 | 5d | 18.689950 | .00003899 |
| 5 | 4d | 8.858918 | .00561057 |
| 6 | 5d | 1.421488 | .03634208 |
| 7 | 3d | 13.154208 | .00073861 |
| 8 | 4d | 1.242320 | -.02980524 |
| ORB.ENERGY,a.u. | -1.540600 | ||
| NORM | 1.000000 | < R > | 2.968275 | < R2 > | 10.098647 | < 1/R > | .446897 | < 1/R**2 > | .326613 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.690336 | 1.07717531 |
| 2 | 3p | 5.740623 | -.10111271 |
| 3 | 2p | 11.260545 | .02120472 |
| 4 | 5p | 13.784515 | .00332367 |
| 5 | 4p | 23.801422 | -.00053219 |
| 6 | 5p | 5.118501 | .00755299 |
| 7 | 5p | 68.371203 | -.00001269 |
| 8 | 3p | 1.795456 | .00217380 |
| ORB.ENERGY,a.u. | -9.264600 | ||
| NORM | 1.000000 | < R > | .521263 | < R2 > | .329872 | < 1/R > | 2.433447 | < 1/R**2 > | 8.050010 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.531414 | .34667279 |
| 2 | 2s | 4.272222 | -.79787816 |
| 3 | 3s | 6.417843 | -.27687629 |
| 4 | 4s | 22.675989 | .00150368 |
| 5 | 5s | 12.617742 | -.01431499 |
| 6 | 5s | 4.784613 | .01964797 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592690 | < R2 > | .411699 | < 1/R > | 2.459557 | < 1/R**2 > | 24.503332 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194940 | .92231576 |
| 2 | 1s | 17.346982 | .07967213 |
| 3 | 2s | 9.598767 | .01719736 |
| 4 | 3s | 12.289860 | -.01627995 |
| 5 | 4s | 59.095385 | -.00007935 |
| 6 | 5s | 27.745503 | .00090638 |
| 7 | 4s | 3.345424 | .00002414 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129621 | < R2 > | .022533 | < 1/R > | 11.651800 | < 1/R**2 > | 273.785278 |
Total Energy= -173.31239364 a.u.
Kinetic Energy= 173.27327593 a.u.
Potential Energy= -346.58566958 a.u.
Virial Ratio = -2.00022576