(1s 2 3p 1 ) 2 P Si 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 5.581437 | .80995698 |
| 2 | 3p | 3.921479 | -1.55632058 |
| 3 | 4p | 6.276246 | .21214089 |
| 4 | 5p | 11.259865 | .01873040 |
| 5 | 4p | 25.862139 | -.00307300 |
| 6 | 5p | 33.769067 | .00096805 |
| 7 | 5p | 3.629243 | .00727559 |
| 8 | 3p | 56.980563 | -.00003774 |
| ORB.ENERGY,a.u. | -8.099200 | ||
| NORM | 1.000000 | < R > | 1.028984 | < R2 > | 1.220466 | < 1/R > | 1.355314 | < 1/R**2 > | 3.729981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.407930 | .93465486 |
| 2 | 1s | 21.014448 | .05430753 |
| 3 | 2s | 15.705964 | .01683520 |
| 4 | 3s | 16.218656 | .00115135 |
| 5 | 4s | 22.286967 | -.00170965 |
| 6 | 5s | 31.068310 | .00039530 |
| 7 | 3s | 35.123584 | -.00064198 |
| 8 | 5s | 5.421102 | -.00007087 |
| ORB.ENERGY,a.u. | -88.168000 |
| NORM | 1.000000 | < R > | .110173 | < R2 > | .016244 | < 1/R > | 13.680979 | < 1/R**2 > | 376.685312 |
Total Energy= -195.45149290 a.u.
Kinetic Energy= 195.45150958 a.u.
Potential Energy= -390.90300248 a.u.
Virial Ratio = -1.99999991