(1s 2 2s 1 3p 1 ) 1 P Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3.741484 | .95609321 |
| 2 | 3p | 3.026499 | -1.56588534 |
| 3 | 2p | 9.586745 | .03334243 |
| 4 | 4p | 11.968875 | .00918894 |
| 5 | 5p | 60.600292 | .00002048 |
| 6 | 5p | 2.887052 | .00688877 |
| ORB.ENERGY,a.u. | -4.708500 | ||
| NORM | 1.000000 | < R > | 1.325727 | < R2 > | 2.024956 | < 1/R > | 1.053551 | < 1/R**2 > | 2.303114 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.876578 | .40698246 |
| 2 | 2s | 5.136482 | -.77796980 |
| 3 | 3s | 5.783042 | -.31252234 |
| 4 | 5s | 9.858926 | -.03643402 |
| 5 | 4s | 21.131759 | .00902867 |
| 6 | 5s | 27.799718 | -.00246523 |
| 7 | 4s | 3.444507 | .00103182 |
| 8 | 3s | 49.027111 | .00008105 |
| ORB.ENERGY,a.u. | -12.577000 | ||
| NORM | 1.000000 | < R > | .561462 | < R2 > | .367433 | < 1/R > | 2.612477 | < 1/R**2 > | 27.549401 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.421786 | .93893828 |
| 2 | 1s | 18.746112 | .05071173 |
| 3 | 2s | 14.334942 | .01479900 |
| 4 | 3s | 7.266894 | .00167497 |
| 5 | 4s | 45.679602 | -.00071139 |
| 6 | 5s | 60.283707 | .00027084 |
| 7 | 5s | 14.922985 | .00111473 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129354 | < R2 > | .022426 | < 1/R > | 11.668872 | < 1/R**2 > | 274.438153 |
Total Energy= -154.82578361 a.u.
Kinetic Energy= 154.79019644 a.u.
Potential Energy= -309.61598005 a.u.
Virial Ratio = -2.00022991