(1s 2 2s 2 2p 2 3p 1 ) 2 D Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3p- electron | |
| 1 | 2p | 3.274239 | .57096216 |
| 2 | 3p | 2.216798 | -1.29101596 |
| 3 | 2p | 9.014981 | .03126051 |
| 4 | 4p | 5.760082 | -.04771162 |
| 5 | 5p | 14.302778 | .00274806 |
| 6 | 5p | 3.392886 | .02138194 |
| 7 | 4p | 16.949186 | .00035907 |
| ORB.ENERGY,a.u. | -2.399700 | ||
| NORM | 1.000000 | < R > | 1.769870 | < R2 > | 3.518832 | < 1/R > | .708413 | < 1/R**2 > | .942701 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.521703 | 1.33004153 |
| 2 | 3p | 5.869588 | -.37827980 |
| 3 | 2p | 1.277405 | -.00333032 |
| 4 | 4p | 7.095892 | .06339719 |
| 5 | 5p | 28.049022 | -.00022505 |
| 6 | 5p | 2.251127 | .03075731 |
| 7 | 4p | 2.172809 | -.06965389 |
| 8 | 3p | 12.597700 | -.00757474 |
| ORB.ENERGY,a.u. | -7.453300 | ||
| NORM | 1.000000 | < R > | .532970 | < R2 > | .343690 | < 1/R > | 2.374667 | < 1/R**2 > | 7.672445 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.771852 | .37459218 |
| 2 | 2s | 4.895419 | -.83367277 |
| 3 | 3s | 5.004044 | -.27125169 |
| 4 | 4s | 19.392049 | .00264430 |
| 5 | 3s | 11.825629 | .01617636 |
| 6 | 5s | 4.847903 | -.03459682 |
| 7 | 4s | 2.462110 | -.00049468 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .612530 | < R2 > | .441347 | < 1/R > | 2.376011 | < 1/R**2 > | 22.978913 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.154148 | .91202860 |
| 2 | 1s | 17.195998 | .08791094 |
| 3 | 2s | 10.292102 | .01906659 |
| 4 | 3s | 13.109277 | -.01554386 |
| 5 | 5s | 28.339135 | .00116946 |
| 6 | 4s | 67.617763 | -.00004432 |
| 7 | 5s | 9.525212 | .00069960 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129961 | < R2 > | .022677 | < 1/R > | 11.632366 | < 1/R**2 > | 273.078739 |
Total Energy= -182.43032187 a.u.
Kinetic Energy= 182.39861722 a.u.
Potential Energy= -364.82893908 a.u.
Virial Ratio = -2.00017382