(1s 2 2p 1 ) 2 P Si 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 6.059507 | .97226860 |
| 2 | 2p | 12.353481 | .01512970 |
| 3 | 2p | 16.942522 | .00486381 |
| 4 | 3p | 9.130192 | .01718081 |
| 5 | 4p | 9.602842 | -.00301390 |
| 6 | 5p | 31.556184 | -.00024013 |
| ORB.ENERGY,a.u. | -18.328000 | ||
| NORM | 1.000000 | < R > | .407676 | < R2 > | .200072 | < 1/R > | 3.081445 | < 1/R**2 > | 12.762989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.416534 | .93556239 |
| 2 | 1s | 21.469248 | .05107393 |
| 3 | 2s | 17.233737 | .01532731 |
| 4 | 3s | 13.011108 | .00499475 |
| 5 | 4s | 51.618162 | -.00060781 |
| 6 | 5s | 67.230266 | .00023756 |
| 7 | 5s | 9.678037 | .00011743 |
| ORB.ENERGY,a.u. | -86.440000 |
| NORM | 1.000000 | < R > | .110409 | < R2 > | .016329 | < 1/R > | 13.662194 | < 1/R**2 > | 375.880945 |
Total Energy= -205.66840000 a.u.
Kinetic Energy= 205.66838970 a.u.
Potential Energy= -411.33678970 a.u.
Virial Ratio = -2.00000005