(1s 2 4s 1 ) 2 S Si 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 9.837460 | .18270314 |
| 2 | 2s | 3.610661 | -1.63752499 |
| 3 | 3s | 3.030270 | 5.17983235 |
| 4 | 4s | 3.029561 | -4.57973781 |
| 5 | 5s | 4.608296 | .30137327 |
| 6 | 4s | 8.387760 | -.09484584 |
| 7 | 5s | 25.403348 | .00158334 |
| 8 | 4s | 33.550275 | .00042294 |
| 9 | 5s | 1.434537 | .00024466 |
| ORB.ENERGY,a.u. | -4.644600 | ||
| NORM | 1.000000 | < R > | 1.942031 | < R2 > | 4.242640 | < 1/R > | .764325 | < 1/R**2 > | 4.688251 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.417011 | .93604542 |
| 2 | 1s | 21.376558 | .05195343 |
| 3 | 2s | 16.581800 | .01709248 |
| 4 | 3s | 12.305190 | .00059591 |
| 5 | 4s | 43.146882 | -.00075417 |
| 6 | 5s | 50.018160 | .00026206 |
| 7 | 3s | 66.595631 | -.00006274 |
| ORB.ENERGY,a.u. | -88.812000 |
| NORM | 1.000000 | < R > | .110111 | < R2 > | .016223 | < 1/R > | 13.686346 | < 1/R**2 > | 376.918693 |
Total Energy= -191.99746149 a.u.
Kinetic Energy= 191.99748085 a.u.
Potential Energy= -383.99494234 a.u.
Virial Ratio = -1.99999990