(1s 2 2s 2 2p 4 3d 1 ) 4 F Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 3d- electron | |
| 1 | 3d | 1.429003 | 1.14042218 |
| 2 | 3d | 4.198577 | .04483496 |
| 3 | 4d | 1.838241 | -.16733374 |
| 4 | 5d | 6.491333 | -.00369768 |
| 5 | 5d | 1.306870 | .01297738 |
| 6 | 4d | 25.333969 | .00003891 |
| ORB.ENERGY,a.u. | -.928240 | ||
| NORM | 1.000000 | < R > | 2.424576 | < R2 > | 6.820546 | < 1/R > | .493339 | < 1/R**2 > | .304708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.536613 | 1.31551276 |
| 2 | 3p | 4.138313 | -.40659580 |
| 3 | 2p | 8.963244 | .08241378 |
| 4 | 4p | 10.276582 | .02247048 |
| 5 | 5p | 2.734654 | .01521908 |
| 6 | 5p | 22.141710 | .00031672 |
| 7 | 4p | 2.555431 | -.02030347 |
| 8 | 4p | 41.440347 | .00005554 |
| ORB.ENERGY,a.u. | -4.574600 | ||
| NORM | 1.000000 | < R > | .605259 | < R2 > | .454527 | < 1/R > | 2.148451 | < 1/R**2 > | 6.448817 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.817528 | .35002801 |
| 2 | 2s | 4.740070 | -.83361438 |
| 3 | 3s | 4.088737 | -.29550472 |
| 4 | 4s | 14.732533 | .01035741 |
| 5 | 3s | 16.454466 | .00497143 |
| 6 | 5s | 29.244320 | .00049377 |
| 7 | 5s | 3.431926 | -.00271682 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .649503 | < R2 > | .500055 | < 1/R > | 2.237189 | < 1/R**2 > | 20.535792 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248344 | .91829369 |
| 2 | 1s | 16.928382 | .07950988 |
| 3 | 2s | 6.358902 | .01946589 |
| 4 | 3s | 7.914280 | -.02012066 |
| 5 | 4s | 10.072241 | .00975531 |
| 6 | 5s | 28.515051 | .00099157 |
| 7 | 4s | 64.327963 | -.00004895 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130346 | < R2 > | .022845 | < 1/R > | 11.611202 | < 1/R**2 > | 272.319229 |
Total Energy= -192.91018789 a.u.
Kinetic Energy= 192.91124283 a.u.
Potential Energy= -385.82143073 a.u.
Virial Ratio = -1.99999453