(1s 2 2s 2 2p 5 5d 1 ) 3 D Mg 2+
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 | .737963 | 1.71548001 |
| 2 | 4d | .639550 | -4.84135919 |
| 3 | 5d | .600001 | 3.80508545 |
| 4 | 3d | 1.966354 | .04953209 |
| 5 | 5d | 2.939872 | -.01572853 |
| 6 | 4d | 5.906513 | .00523594 |
| 7 | 5d | 10.771332 | .00017233 |
| 8 | 3d | 8.105896 | .00117739 |
| ORB.ENERGY,a.u. | -.182940 | ||
| NORM | 1.000003 | < R > | 11.258259 | < R2 > | 144.252264 | < 1/R > | .125735 | < 1/R**2 > | .034393 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.372396 | 1.32613137 |
| 2 | 3p | 4.057968 | -.42287774 |
| 3 | 2p | 8.600891 | .09309250 |
| 4 | 5p | 2.371150 | .00697594 |
| 5 | 4p | 9.943653 | .02025785 |
| 6 | 3p | 27.017378 | .00019189 |
| 7 | 4p | 1.955627 | -.00553665 |
| 8 | 3p | 21.588376 | -.00037060 |
| ORB.ENERGY,a.u. | -3.804700 | ||
| NORM | 1.000000 | < R > | .640027 | < R2 > | .513088 | < 1/R > | 2.054332 | < 1/R**2 > | 5.966396 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891689 | .33582458 |
| 2 | 2s | 4.636323 | -.82502994 |
| 3 | 3s | 3.826766 | -.30275106 |
| 4 | 4s | 15.728337 | .00601276 |
| 5 | 3s | 14.515726 | .00630440 |
| 6 | 5s | 33.286626 | .00022165 |
| 7 | 5s | 2.730614 | -.00108388 |
| 8 | 4s | 3.036424 | .00226442 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669123 | < R2 > | .533108 | < 1/R > | 2.171447 | < 1/R**2 > | 19.422221 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90716033 |
| 2 | 1s | 16.607500 | .09138153 |
| 3 | 2s | 6.095129 | .01901649 |
| 4 | 3s | 7.737612 | -.02089663 |
| 5 | 4s | 9.891375 | .01071856 |
| 6 | 5s | 28.759853 | .00103289 |
| 7 | 4s | 67.724432 | -.00004161 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130493 | < R2 > | .022910 | < 1/R > | 11.603291 | < 1/R**2 > | 272.037055 |
Total Energy= -196.12537256 a.u.
Kinetic Energy= 196.12341712 a.u.
Potential Energy= -392.24878968 a.u.
Virial Ratio = -2.00000997