(1s 2 2s 2 2p 2 5p 1 ) 4 D Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 5p- electron | |
| 1 | 2p | 3.336522 | .23488443 |
| 2 | 3p | 1.655827 | -2.07276615 |
| 3 | 4p | 1.363928 | 5.49841144 |
| 4 | 5p | 1.291587 | -3.94722321 |
| 5 | 2p | 6.721871 | .05083584 |
| 6 | 5p | 20.003833 | -.00103929 |
| 7 | 4p | 1.081259 | -.33385870 |
| 8 | 4p | 29.277869 | -.00029629 |
| ORB.ENERGY,a.u. | -.809200 | ||
| NORM | .999999 | < R > | 5.415720 | < R2 > | 32.967641 | < 1/R > | .264977 | < 1/R**2 > | .253263 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.351378 | 1.19666354 |
| 2 | 3p | 5.243460 | -.22070041 |
| 3 | 2p | 12.082622 | .01926904 |
| 4 | 4p | 13.582708 | .00888701 |
| 5 | 5p | 18.608523 | -.00149251 |
| 6 | 5p | 3.765454 | .00080342 |
| 7 | 3p | 28.108986 | .00019132 |
| ORB.ENERGY,a.u. | -8.006700 | ||
| NORM | 1.000000 | < R > | .544698 | < R2 > | .361911 | < 1/R > | 2.342540 | < 1/R**2 > | 7.512140 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.776599 | .37567160 |
| 2 | 2s | 4.908318 | -.82961914 |
| 3 | 3s | 5.090118 | -.27021545 |
| 4 | 4s | 19.268213 | .00265978 |
| 5 | 3s | 11.898679 | .01608992 |
| 6 | 5s | 5.051253 | -.03986634 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610239 | < R2 > | .437685 | < 1/R > | 2.384667 | < 1/R**2 > | 23.132481 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156220 | .91174192 |
| 2 | 1s | 17.176016 | .08817277 |
| 3 | 2s | 10.282823 | .01906109 |
| 4 | 3s | 13.083575 | -.01555901 |
| 5 | 5s | 28.455145 | .00121259 |
| 6 | 4s | 69.274490 | -.00004012 |
| 7 | 5s | 8.997367 | .00062416 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129925 | < R2 > | .022662 | < 1/R > | 11.634477 | < 1/R**2 > | 273.156046 |
Total Energy= -180.80151251 a.u.
Kinetic Energy= 180.80870556 a.u.
Potential Energy= -361.61021806 a.u.
Virial Ratio = -1.99996022