(1s 2 2s 2 2p 4 3s 1 ) 2 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 3s- electron | |
| 1 | 1s | 10.550061 | .09690216 |
| 2 | 2s | 3.240960 | -.44243571 |
| 3 | 3s | 1.838970 | 1.15733248 |
| 4 | 4s | 8.406911 | -.04002040 |
| 5 | 5s | 14.429510 | -.00471616 |
| 6 | 3s | 11.046348 | -.00943126 |
| 7 | 5s | 1.682939 | .00971514 |
| ORB.ENERGY,a.u. | -1.478100 | ||
| NORM | 1.000000 | < R > | 2.084202 | < R2 > | 4.892930 | < 1/R > | .627907 | < 1/R**2 > | 2.111360 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.628852 | 1.29823666 |
| 2 | 3p | 4.299123 | -.37372339 |
| 3 | 2p | 9.405256 | .06666542 |
| 4 | 4p | 10.868635 | .02053237 |
| 5 | 5p | 25.817225 | .00046226 |
| 6 | 5p | 2.608515 | .01091119 |
| 7 | 4p | 41.782675 | .00011205 |
| 8 | 4p | 2.302272 | -.01193673 |
| ORB.ENERGY,a.u. | -4.480000 | ||
| NORM | 1.000000 | < R > | .605909 | < R2 > | .455168 | < 1/R > | 2.145362 | < 1/R**2 > | 6.430122 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.845643 | .30307289 |
| 2 | 2s | 3.861053 | -.76660055 |
| 3 | 3s | 6.620268 | -.24008169 |
| 4 | 4s | 5.115581 | -.05131643 |
| 5 | 5s | 13.729571 | -.01179401 |
| 6 | 4s | 2.044504 | .01193410 |
| 7 | 2s | 12.238738 | .00187753 |
| 8 | 3s | 45.876074 | -.00012348 |
| 9 | 4s | 76.119621 | .00003098 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .644475 | < R2 > | .490490 | < 1/R > | 2.250458 | < 1/R**2 > | 20.745484 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.254232 | .91624431 |
| 2 | 1s | 16.765775 | .08133957 |
| 3 | 2s | 4.933539 | .02298549 |
| 4 | 3s | 4.183774 | -.03988508 |
| 5 | 4s | 4.727659 | .02687402 |
| 6 | 5s | 29.286817 | .00099873 |
| 7 | 4s | 66.763495 | -.00003934 |
| 8 | 5s | 2.127564 | -.00041614 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130370 | < R2 > | .022858 | < 1/R > | 11.609916 | < 1/R**2 > | 272.271505 |
Total Energy= -193.48356884 a.u.
Kinetic Energy= 193.45907481 a.u.
Potential Energy= -386.94264365 a.u.
Virial Ratio = -2.00012661