(1s 2 5p 1 ) 2 P Si 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 1.604030 | 7.71647296 |
| 2 | 3p | 2.891831 | -7.53007224 |
| 3 | 4p | 2.190263 | 8.85476460 |
| 4 | 5p | 2.323937 | -10.47963750 |
| 5 | 2p | 13.679695 | .00499002 |
| 6 | 5p | 16.122283 | .00147307 |
| 7 | 5p | 1.805920 | -.33971047 |
| ORB.ENERGY,a.u. | -2.901800 | ||
| NORM | 1.000002 | < R > | 3.020721 | < R2 > | 10.274821 | < 1/R > | .484561 | < 1/R**2 > | .798643 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.416847 | .93610682 |
| 2 | 1s | 21.354112 | .05201073 |
| 3 | 2s | 16.509454 | .01704535 |
| 4 | 3s | 12.675224 | .00053703 |
| 5 | 4s | 36.079090 | -.00063498 |
| 6 | 5s | 40.033142 | .00026900 |
| 7 | 3s | 45.792927 | -.00022657 |
| ORB.ENERGY,a.u. | -89.052000 |
| NORM | 1.000000 | < R > | .110113 | < R2 > | .016224 | < 1/R > | 13.686175 | < 1/R**2 > | 376.913121 |
Total Energy= -190.26050855 a.u.
Kinetic Energy= 190.26054934 a.u.
Potential Energy= -380.52105789 a.u.
Virial Ratio = -1.99999979