(1s 1 4s 1 ) 3 S C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 2.866386 | .31085998 |
| 2 | 2s | 2.719598 | -.67268141 |
| 3 | 3s | 1.100512 | 3.46162714 |
| 4 | 4s | 1.215020 | -4.46539151 |
| 5 | 5s | 1.970186 | .80930972 |
| 6 | 4s | 3.412282 | -.16195714 |
| 7 | 5s | 22.963167 | -.00009329 |
| ORB.ENERGY,a.u. | -.823480 | ||
| NORM | .999997 | < R > | 4.607013 | < R2 > | 23.872843 | < 1/R > | .319185 | < 1/R**2 > | .789371 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.893867 | .75789623 |
| 2 | 1s | 6.102257 | .25566300 |
| 3 | 2s | 5.921283 | -.01529688 |
| 4 | 3s | 7.168275 | -.00045263 |
| 5 | 4s | 6.065264 | .00012373 |
| ORB.ENERGY,a.u. | -17.698000 |
| NORM | 1.000000 | < R > | .249989 | < R2 > | .083332 | < 1/R > | 6.000474 | < 1/R**2 > | 72.011561 |
Total Energy= -18.80941839 a.u.
Kinetic Energy= 18.81458583 a.u.
Potential Energy= -37.62400421 a.u.
Virial Ratio = -1.99972535