(1s 2 2s 2 2p 6 3s 1 4p 1 ) 1 P Mg 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | .230441 | .45221603 |
| 2 | 3p | .862221 | -.27298480 |
| 3 | 2p | 4.309417 | .05765446 |
| 4 | 3p | 5.950370 | -.01551369 |
| 5 | 4p | .650829 | -.52387057 |
| 6 | 5p | .371335 | .76732469 |
| 7 | 5p | 2.453650 | -.02699472 |
| 8 | 4p | 18.542759 | -.00021912 |
| ORB.ENERGY,a.u. | -.048437 | ||
| NORM | .999999 | < R > | 14.286535 | < R2 > | 236.160290 | < 1/R > | .098858 | < 1/R**2 > | .027154 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .245479 | .01387371 |
| 2 | 1s | 4.324911 | .17100333 |
| 3 | 1s | 13.330737 | .01575795 |
| 4 | 2s | 4.962679 | -.34254949 |
| 5 | 3s | 1.166501 | .79160070 |
| 6 | 4s | 1.997641 | .23254305 |
| 7 | 5s | 5.403484 | -.05485851 |
| 8 | 4s | 42.339213 | -.00007315 |
| 9 | 3s | 24.427192 | .00017438 |
| ORB.ENERGY,a.u. | -.243170 | ||
| NORM | 1.000000 | < R > | 2.853077 | < R2 > | 9.355847 | < 1/R > | .454037 | < 1/R**2 > | 1.068618 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.303645 | .57502641 |
| 2 | 3p | 4.147749 | .36154273 |
| 3 | 4p | 3.841541 | .13417642 |
| 4 | 5p | 3.234671 | .05029460 |
| 5 | 2p | 12.081300 | .01541841 |
| 6 | 5p | 9.611003 | -.01337264 |
| 7 | 4p | 49.643192 | .00001740 |
| 8 | 3p | 1.423113 | .00227996 |
| 9 | 4p | .149114 | -.00242598 |
| 10 | 5p | .174434 | .00227486 |
| ORB.ENERGY,a.u. | -2.072600 | ||
| NORM | 1.000000 | < R > | .683711 | < R2 > | .594754 | < 1/R > | 1.953838 | < 1/R**2 > | 5.479245 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.367408 | .30371449 |
| 2 | 2s | 4.712191 | -.74624368 |
| 3 | 3s | 3.811556 | -.32888056 |
| 4 | 4s | 14.995422 | .02204970 |
| 5 | 3s | 22.604418 | .01087910 |
| 6 | 2s | 2.507643 | -.05461507 |
| 7 | 5s | 23.912213 | .00378569 |
| 8 | 5s | 1.467562 | -.00040530 |
| 9 | 2s | 35.222668 | .00106671 |
| ORB.ENERGY,a.u. | -3.594900 | ||
| NORM | 1.000000 | < R > | .690646 | < R2 > | .571697 | < 1/R > | 2.106986 | < 1/R**2 > | 18.369062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.601785 | 1.01578614 |
| 2 | 2s | 17.845816 | -.02479221 |
| 3 | 3s | 7.501636 | .02083128 |
| 4 | 4s | 18.438541 | -.00522816 |
| 5 | 3s | 13.249691 | .00742001 |
| 6 | 2s | 33.005091 | .00090574 |
| 7 | 5s | 9.404894 | -.00879641 |
| 8 | 4s | 3.808437 | .00013035 |
| 9 | 5s | 58.953259 | .00000322 |
| ORB.ENERGY,a.u. | -48.182000 |
| NORM | 1.000000 | < R > | .130596 | < R2 > | .022957 | < 1/R > | 11.597883 | < 1/R**2 > | 271.845003 |
Total Energy= -199.43021951 a.u.
Kinetic Energy= 199.42025151 a.u.
Potential Energy= -398.85047102 a.u.
Virial Ratio = -2.00004998