(1s 2 2s 2 2p 5 5d 1 ) 3 F Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | .769239 | 1.47278744 |
| 2 | 4d | .647536 | -4.39350017 |
| 3 | 5d | .603835 | 3.58392614 |
| 4 | 3d | 1.813672 | .07195896 |
| 5 | 5d | 2.761990 | -.01944579 |
| 6 | 4d | 5.609368 | .00676145 |
| 7 | 5d | 10.247756 | .00028497 |
| 8 | 3d | 7.772892 | .00156377 |
| ORB.ENERGY,a.u. | -.185060 | ||
| NORM | 1.000007 | < R > | 11.119083 | < R2 > | 140.760796 | < 1/R > | .127864 | < 1/R**2 > | .036154 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.369461 | 1.32665178 |
| 2 | 3p | 4.051179 | -.42368495 |
| 3 | 2p | 8.645183 | .09216606 |
| 4 | 5p | 2.388681 | .00647578 |
| 5 | 4p | 9.992672 | .02140487 |
| 6 | 3p | 16.181653 | .00009355 |
| 7 | 4p | 1.966433 | -.00502941 |
| 8 | 5p | 31.805277 | -.00010655 |
| ORB.ENERGY,a.u. | -3.806900 | ||
| NORM | 1.000000 | < R > | .640086 | < R2 > | .513197 | < 1/R > | 2.054198 | < 1/R**2 > | 5.965758 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891466 | .33583478 |
| 2 | 2s | 4.636832 | -.82490306 |
| 3 | 3s | 3.826844 | -.30293790 |
| 4 | 4s | 15.701112 | .00610164 |
| 5 | 3s | 14.571396 | .00623208 |
| 6 | 5s | 33.214817 | .00022383 |
| 7 | 5s | 2.738906 | -.00108300 |
| 8 | 4s | 3.047597 | .00227770 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669129 | < R2 > | .533121 | < 1/R > | 2.171436 | < 1/R**2 > | 19.422079 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90716037 |
| 2 | 1s | 16.607703 | .09138039 |
| 3 | 2s | 6.095513 | .01901610 |
| 4 | 3s | 7.738083 | -.02089534 |
| 5 | 4s | 9.892060 | .01071739 |
| 6 | 5s | 28.774075 | .00103351 |
| 7 | 4s | 67.710823 | -.00004116 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130493 | < R2 > | .022910 | < 1/R > | 11.603301 | < 1/R**2 > | 272.037411 |
Total Energy= -196.12536700 a.u.
Kinetic Energy= 196.12553631 a.u.
Potential Energy= -392.25090332 a.u.
Virial Ratio = -1.99999914