(1s 1 3s 1 ) 3 S Mg 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 7.391741 | .36410013 |
| 2 | 2s | 3.961187 | -1.87231713 |
| 3 | 3s | 3.693378 | 2.35688047 |
| 4 | 4s | 5.928664 | -.13411304 |
| 5 | 5s | 10.252978 | -.01569162 |
| 6 | 4s | 35.457122 | -.00011478 |
| 7 | 3s | 18.937252 | .00033478 |
| 8 | 5s | 2.045450 | -.00011247 |
| ORB.ENERGY,a.u. | -7.057900 | ||
| NORM | 1.000000 | < R > | 1.195558 | < R2 > | 1.622891 | < 1/R > | 1.238199 | < 1/R**2 > | 9.089493 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.746813 | .88927274 |
| 2 | 1s | 14.404571 | .10559838 |
| 3 | 2s | 14.364233 | .01067913 |
| 4 | 3s | 12.448994 | -.00521232 |
| 5 | 4s | 40.613239 | .00002055 |
| 6 | 5s | 16.257927 | .00007306 |
| ORB.ENERGY,a.u. | -71.058000 |
| NORM | 1.000000 | < R > | .124992 | < R2 > | .020833 | < 1/R > | 12.001393 | < 1/R**2 > | 288.068062 |
Total Energy= -78.87729738 a.u.
Kinetic Energy= 78.90739319 a.u.
Potential Energy= -157.78469057 a.u.
Virial Ratio = -1.99961859