(1s 2 2s 2 2p 6 ) 1 S Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 3.228189 | 1.32702769 |
| 2 | 3p | 3.982995 | -.43351023 |
| 3 | 2p | 8.499316 | .09662620 |
| 4 | 4p | 9.547842 | .02404577 |
| 5 | 5p | 3.006926 | .01916402 |
| 6 | 5p | 17.308843 | .00084537 |
| 7 | 4p | 42.130018 | .00002035 |
| ORB.ENERGY,a.u. | -2.889400 | ||
| NORM | 1.000000 | < R > | .680891 | < R2 > | .588464 | < 1/R > | 1.958781 | < 1/R**2 > | 5.501279 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.937212 | .32365197 |
| 2 | 2s | 4.567484 | -.81346125 |
| 3 | 3s | 3.536820 | -.33450387 |
| 4 | 4s | 16.436586 | .00971271 |
| 5 | 3s | 21.787425 | .00148615 |
| 6 | 5s | 2.405116 | -.04526766 |
| 7 | 5s | 32.622409 | .00033240 |
| 8 | 3s | 1.722382 | .07010989 |
| 9 | 2s | .576657 | -.02079574 |
| 10 | 4s | .805047 | .01366277 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .690364 | < R2 > | .570929 | < 1/R > | 2.107182 | < 1/R**2 > | 18.369448 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.189467 | .90764014 |
| 2 | 1s | 16.633790 | .09093133 |
| 3 | 2s | 5.813944 | .01999302 |
| 4 | 3s | 7.444740 | -.02187565 |
| 5 | 4s | 9.693506 | .01124499 |
| 6 | 5s | 28.739597 | .00089241 |
| 7 | 4s | 62.912933 | -.00005203 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130598 | < R2 > | .022958 | < 1/R > | 11.597814 | < 1/R**2 > | 271.843444 |
Total Energy= -198.83081106 a.u.
Kinetic Energy= 198.83080843 a.u.
Potential Energy= -397.66161949 a.u.
Virial Ratio = -2.00000001