(1s 2 2s 2 2p 2 3p 1 ) 4 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
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 | 3.864090 | .59658320 |
| 2 | 3p | 2.251629 | -1.22544595 |
| 3 | 2p | 10.330432 | .02011398 |
| 4 | 4p | 6.286908 | -.06294744 |
| 5 | 5p | 14.956437 | .00216390 |
| 6 | 5p | 4.087929 | .03837682 |
| ORB.ENERGY,a.u. | -2.459000 | ||
| NORM | 1.000000 | < R > | 1.694128 | < R2 > | 3.281206 | < 1/R > | .797101 | < 1/R**2 > | 1.346870 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.110807 | 1.31182050 |
| 2 | 3p | 4.746556 | -.34830761 |
| 3 | 2p | 10.952119 | .03029524 |
| 4 | 4p | 12.536110 | .00885862 |
| 5 | 5p | 20.091580 | -.00079930 |
| 6 | 5p | 3.276856 | .01496278 |
| 7 | 4p | 3.229629 | -.02164712 |
| 8 | 4p | 54.187347 | .00002307 |
| ORB.ENERGY,a.u. | -7.512600 | ||
| NORM | 1.000000 | < R > | .546594 | < R2 > | .365300 | < 1/R > | 2.338085 | < 1/R**2 > | 7.490790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.762147 | .37504573 |
| 2 | 2s | 4.901521 | -.83444764 |
| 3 | 3s | 4.992610 | -.27156235 |
| 4 | 4s | 19.430919 | .00262010 |
| 5 | 3s | 11.761255 | .01670220 |
| 6 | 5s | 4.831043 | -.03485463 |
| 7 | 4s | 2.454981 | -.00052934 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .612766 | < R2 > | .441758 | < 1/R > | 2.375285 | < 1/R**2 > | 22.966802 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.154105 | .91206129 |
| 2 | 1s | 17.196791 | .08788571 |
| 3 | 2s | 10.286403 | .01907009 |
| 4 | 3s | 13.113172 | -.01554211 |
| 5 | 5s | 28.343977 | .00117112 |
| 6 | 4s | 67.667036 | -.00004409 |
| 7 | 5s | 9.486976 | .00067565 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129962 | < R2 > | .022677 | < 1/R > | 11.632268 | < 1/R**2 > | 273.074810 |
Total Energy= -182.43125813 a.u.
Kinetic Energy= 182.45777302 a.u.
Potential Energy= -364.88903114 a.u.
Virial Ratio = -1.99985468