(1s 1 5s 1 ) 1 S Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 1.611009 | 1.25050316 |
| 2 | 2s | 3.505529 | -3.07513882 |
| 3 | 3s | 2.905395 | 8.10487399 |
| 4 | 4s | 2.449432 | -19.87631691 |
| 5 | 5s | 2.571924 | 14.24121552 |
| 6 | 2s | 8.964452 | .06579408 |
| 7 | 5s | 17.003021 | -.00333458 |
| 8 | 4s | 1.564041 | -.00245133 |
| ORB.ENERGY,a.u. | -3.674800 | ||
| NORM | .999992 | < R > | 2.853911 | < R2 > | 9.126948 | < 1/R > | .493335 | < 1/R**2 > | 1.250720 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.005033 | 1.00168163 |
| 2 | 2s | 1.193406 | .28432969 |
| 3 | 3s | 6.254048 | -.05363087 |
| 4 | 4s | 7.835929 | .01900865 |
| 5 | 5s | 3.332032 | -.18308958 |
| 6 | 4s | 1.465418 | -.10793292 |
| 7 | 5s | 26.079223 | -.00006208 |
| ORB.ENERGY,a.u. | -97.755000 |
| NORM | 1.000000 | < R > | .109412 | < R2 > | .024271 | < 1/R > | 14.029278 | < 1/R**2 > | 393.477407 |
Total Energy= -101.42275564 a.u.
Kinetic Energy= 101.41362570 a.u.
Potential Energy= -202.83638135 a.u.
Virial Ratio = -2.00009003