(1s 2 2s 2 2p 5 3p 1 ) 1 D Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3.113772 | .32020851 |
| 2 | 3p | 1.365191 | -1.01942144 |
| 3 | 4p | 4.770713 | -.06692032 |
| 4 | 2p | 8.651296 | .03128898 |
| 5 | 5p | 12.503562 | .00675535 |
| 6 | 4p | 17.056290 | .00191954 |
| 7 | 5p | 1.332468 | -.04427048 |
| 8 | 5p | 57.897475 | .00002784 |
| ORB.ENERGY,a.u. | -.763300 | ||
| NORM | 1.000000 | < R > | 2.704280 | < R2 > | 8.344947 | < 1/R > | .475270 | < 1/R**2 > | .482661 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.345432 | 1.32812595 |
| 2 | 3p | 4.003657 | -.42855558 |
| 3 | 2p | 8.654964 | .09373749 |
| 4 | 4p | 9.999299 | .02314664 |
| 5 | 5p | 20.138643 | .00029088 |
| 6 | 5p | 1.421862 | -.00610169 |
| 7 | 4p | 44.079991 | .00002936 |
| 8 | 4p | 1.206581 | .00544715 |
| ORB.ENERGY,a.u. | -3.440100 | ||
| NORM | 1.000000 | < R > | .640634 | < R2 > | .513866 | < 1/R > | 2.052216 | < 1/R**2 > | 5.954842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.898606 | .33490850 |
| 2 | 2s | 4.630143 | -.82382084 |
| 3 | 3s | 3.828244 | -.30160934 |
| 4 | 4s | 15.961449 | .00535120 |
| 5 | 3s | 14.197908 | .00677929 |
| 6 | 5s | 33.562364 | .00019242 |
| 7 | 5s | 2.678399 | -.00152956 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .670377 | < R2 > | .535402 | < 1/R > | 2.167740 | < 1/R**2 > | 19.361604 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.192885 | .90716213 |
| 2 | 1s | 16.607734 | .09138442 |
| 3 | 2s | 6.091919 | .01905832 |
| 4 | 3s | 7.726279 | -.02092789 |
| 5 | 4s | 9.871206 | .01076276 |
| 6 | 5s | 28.534753 | .00100980 |
| 7 | 4s | 67.543296 | -.00004836 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130505 | < R2 > | .022915 | < 1/R > | 11.602635 | < 1/R**2 > | 272.013193 |
Total Energy= -196.70687723 a.u.
Kinetic Energy= 196.70368851 a.u.
Potential Energy= -393.41056574 a.u.
Virial Ratio = -2.00001621