(1s 1 2s 1 ) 3 S Mg 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 2s- electron | |
| 1 | 1s | 9.383124 | .47190942 |
| 2 | 2s | 5.475731 | -.87617981 |
| 3 | 3s | 6.671447 | -.29365229 |
| 4 | 4s | 15.079500 | .00411622 |
| 5 | 5s | 6.627730 | -.00945982 |
| ORB.ENERGY,a.u. | -15.965000 | ||
| NORM | 1.000000 | < R > | .524453 | < R2 > | .320454 | < 1/R > | 2.805069 | < 1/R**2 > | 31.203223 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.752548 | .88924704 |
| 2 | 1s | 14.406154 | .10552330 |
| 3 | 2s | 14.648058 | .01067024 |
| 4 | 3s | 13.179849 | -.00498955 |
| 5 | 4s | 33.271376 | .00013518 |
| 6 | 5s | 7.050009 | -.00001276 |
| ORB.ENERGY,a.u. | -69.965000 |
| NORM | 1.000000 | < R > | .124938 | < R2 > | .020818 | < 1/R > | 12.006948 | < 1/R**2 > | 288.312755 |
Total Energy= -87.67572804 a.u.
Kinetic Energy= 87.79074887 a.u.
Potential Energy= -175.46647691 a.u.
Virial Ratio = -1.99868983