(1s 2 2s 2 2p 5 4p 1 ) 1 S Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4p- electron | |
| 1 | 2p | 4.201960 | .10872748 |
| 2 | 3p | .603119 | 2.30803677 |
| 3 | 4p | 1.381840 | -1.17464212 |
| 4 | 5p | 2.571577 | -.16139270 |
| 5 | 3p | 6.064791 | -.03007507 |
| 6 | 5p | .694853 | -.74578523 |
| 7 | 4p | 17.729992 | -.00038972 |
| 8 | 5p | 51.675713 | -.00001476 |
| ORB.ENERGY,a.u. | -.357360 | ||
| NORM | 1.000001 | < R > | 6.027994 | < R2 > | 40.903029 | < 1/R > | .212169 | < 1/R**2 > | .091877 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.410798 | 1.33873177 |
| 2 | 3p | 4.140694 | -.42475999 |
| 3 | 2p | 8.790595 | .08364425 |
| 4 | 4p | 10.011638 | .01832646 |
| 5 | 5p | .975610 | .02116729 |
| 6 | 4p | 1.452842 | -.01139580 |
| 7 | 5p | 15.089889 | .00096076 |
| 8 | 3p | 41.041511 | .00001515 |
| 9 | 3p | .486322 | .00088289 |
| ORB.ENERGY,a.u. | -3.669900 | ||
| NORM | 1.000000 | < R > | .639325 | < R2 > | .520061 | < 1/R > | 2.057127 | < 1/R**2 > | 5.977304 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.894039 | .33551425 |
| 2 | 2s | 4.627730 | -.82647762 |
| 3 | 3s | 3.817119 | -.30123816 |
| 4 | 4s | 16.455351 | .00920733 |
| 5 | 3s | 14.899181 | .00490633 |
| 6 | 5s | 20.955759 | -.00203219 |
| 7 | 5s | 2.799103 | -.00152913 |
| 8 | 4s | 3.039805 | .00337932 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669456 | < R2 > | .533659 | < 1/R > | 2.170283 | < 1/R**2 > | 19.402248 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193159 | .90716374 |
| 2 | 1s | 16.608092 | .09138084 |
| 3 | 2s | 6.091897 | .01903324 |
| 4 | 3s | 7.731903 | -.02091162 |
| 5 | 4s | 9.883006 | .01073887 |
| 6 | 5s | 28.702481 | .00102438 |
| 7 | 4s | 67.619680 | -.00004334 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130498 | < R2 > | .022913 | < 1/R > | 11.603024 | < 1/R**2 > | 272.027371 |
Total Energy= -196.30936508 a.u.
Kinetic Energy= 196.29827095 a.u.
Potential Energy= -392.60763603 a.u.
Virial Ratio = -2.00005652