(1s 2 2s 2 2p 5 4p 1 ) 1 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 2p | 6.256348 | .16725901 |
| 2 | 3p | 1.049800 | 1.99316762 |
| 3 | 4p | 2.256679 | -1.21484720 |
| 4 | 5p | 4.178443 | -.15163075 |
| 5 | 3p | 9.686482 | -.01053873 |
| 6 | 5p | 1.087798 | -.59979661 |
| 7 | 4p | .832391 | .25800028 |
| 8 | 5p | 32.226160 | -.00019685 |
| 9 | 4p | 49.589254 | -.00003043 |
| 10 | 5p | .748759 | -.03283171 |
| ORB.ENERGY,a.u. | -.974260 | ||
| NORM | 1.000000 | < R > | 3.680344 | < R2 > | 15.316351 | < 1/R > | .378659 | < 1/R**2 > | .427845 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.346447 | 1.25986095 |
| 2 | 3p | 5.142330 | -.34419477 |
| 3 | 2p | 10.436157 | .08055942 |
| 4 | 5p | 76.475436 | .00001265 |
| 5 | 4p | 12.408918 | .01570373 |
| 6 | 5p | 2.268008 | .00040450 |
| ORB.ENERGY,a.u. | -7.092200 | ||
| NORM | 1.000000 | < R > | .506912 | < R2 > | .318519 | < 1/R > | 2.563339 | < 1/R**2 > | 9.170741 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.403558 | .36071150 |
| 2 | 2s | 5.635973 | -.82940774 |
| 3 | 3s | 4.911618 | -.30138046 |
| 4 | 4s | 17.910782 | .00445836 |
| 5 | 3s | 16.331974 | .00663219 |
| 6 | 5s | 35.610249 | .00033038 |
| 7 | 5s | 4.663151 | -.00397453 |
| 8 | 4s | 1.633370 | .00016573 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547418 | < R2 > | .354925 | < 1/R > | 2.662506 | < 1/R**2 > | 29.132764 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199305 | .91834172 |
| 2 | 1s | 19.515322 | .07855301 |
| 3 | 2s | 7.786649 | .02031469 |
| 4 | 3s | 9.773576 | -.02094212 |
| 5 | 4s | 12.327650 | .01067314 |
| 6 | 5s | 33.186128 | .00087398 |
| 7 | 4s | 77.862531 | -.00004318 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111313 | < R2 > | .016656 | < 1/R > | 13.589974 | < 1/R**2 > | 372.754140 |
Total Energy= -280.08037625 a.u.
Kinetic Energy= 280.07596599 a.u.
Potential Energy= -560.15634223 a.u.
Virial Ratio = -2.00001575