(1s 2 2s 1 5p 1 ) 3 P Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 1.369027 | 5.16529042 |
| 2 | 3p | 2.302512 | -5.87427749 |
| 3 | 4p | 1.752854 | 6.72458973 |
| 4 | 5p | 1.791560 | -7.33462618 |
| 5 | 2p | 8.784080 | .02353797 |
| 6 | 5p | 10.424079 | .01030901 |
| 7 | 4p | 12.879628 | .00482908 |
| 8 | 5p | 53.159216 | .00002343 |
| 9 | 4p | .578827 | -.00056441 |
| ORB.ENERGY,a.u. | -1.671400 | ||
| NORM | .999998 | < R > | 3.932351 | < R2 > | 17.406622 | < 1/R > | .371951 | < 1/R**2 > | .481947 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.932755 | .40500383 |
| 2 | 2s | 5.071975 | -.78438944 |
| 3 | 3s | 5.883235 | -.30463601 |
| 4 | 5s | 10.444625 | -.03352251 |
| 5 | 4s | 21.760883 | .00726480 |
| 6 | 5s | 28.935530 | -.00191015 |
| 7 | 4s | 4.361860 | .00144832 |
| 8 | 3s | 51.910064 | .00005660 |
| 9 | 5s | 1.149965 | -.00009049 |
| ORB.ENERGY,a.u. | -13.155000 | ||
| NORM | 1.000000 | < R > | .559910 | < R2 > | .365602 | < 1/R > | 2.621779 | < 1/R**2 > | 27.731512 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.426514 | .93777024 |
| 2 | 1s | 18.598544 | .05182484 |
| 3 | 2s | 14.227261 | .01475312 |
| 4 | 3s | 9.173141 | .00222122 |
| 5 | 4s | 46.740435 | -.00062195 |
| 6 | 5s | 61.878199 | .00023146 |
| 7 | 5s | 6.277712 | .00018383 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129250 | < R2 > | .022382 | < 1/R > | 11.674804 | < 1/R**2 > | 274.654718 |
Total Energy= -151.75326404 a.u.
Kinetic Energy= 151.75518891 a.u.
Potential Energy= -303.50845295 a.u.
Virial Ratio = -1.99998732