(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 1 P Si 0
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 | 3p | .472283 | 1.26183171 |
| 2 | 5p | .451432 | .14502710 |
| 3 | 4p | 1.666239 | -.10773913 |
| 4 | 2p | 5.258013 | .06640142 |
| 5 | 5p | 3.179379 | -.04434722 |
| 6 | 3p | 7.388138 | -.01389192 |
| 7 | 2p | .514782 | -.47635158 |
| 8 | 4p | 23.714592 | -.00014407 |
| ORB.ENERGY,a.u. | -.080434 | ||
| NORM | .999998 | < R > | 8.872784 | < R2 > | 88.391322 | < 1/R > | .137324 | < 1/R**2 > | .045063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.472241 | .24805412 |
| 2 | 2p | 1.044038 | -.82926667 |
| 3 | 3p | 1.586982 | -.24698356 |
| 4 | 2p | 7.044273 | .10065608 |
| 5 | 3p | 9.781143 | -.00959443 |
| 6 | 4p | .842419 | .00600243 |
| 7 | 4p | 25.320242 | -.00032556 |
| 8 | 5p | 76.654970 | -.00000867 |
| 9 | 5p | .918899 | .00104982 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.471054 | < R2 > | 7.104864 | < 1/R > | .529559 | < 1/R**2 > | .617208 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.288735 | -.15844193 |
| 2 | 1s | 9.507836 | .18332859 |
| 3 | 1s | 21.842223 | .00210302 |
| 4 | 2s | 4.235276 | -.26865529 |
| 5 | 3s | 1.706818 | .86385089 |
| 6 | 4s | 3.075889 | .15692099 |
| 7 | 5s | 1.533787 | .07154629 |
| 8 | 4s | 44.995660 | -.00006215 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.096029 | < R2 > | 5.062226 | < 1/R > | .633388 | < 1/R**2 > | 2.219318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.166969 | .48163756 |
| 2 | 3p | 5.445719 | .49064648 |
| 3 | 4p | 4.285769 | .12915381 |
| 4 | 5p | 2.822230 | .00379570 |
| 5 | 2p | 13.807339 | .01058514 |
| 6 | 5p | 29.496248 | -.00056470 |
| 7 | 4p | 39.381868 | -.00014986 |
| 8 | 3p | .614504 | .00039104 |
| 9 | 4p | .628462 | -.00034695 |
| 10 | 2p | 95.776885 | .00000079 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535302 | < R2 > | .359520 | < 1/R > | 2.456790 | < 1/R**2 > | 8.522847 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398689 | .35140424 |
| 2 | 2s | 4.934635 | -.77287632 |
| 3 | 3s | 4.397733 | -.16879846 |
| 4 | 4s | 21.979999 | .00178014 |
| 5 | 2s | 6.454562 | -.18123467 |
| 6 | 3s | 14.456543 | .01042317 |
| 7 | 4s | 3.408541 | -.00409772 |
| 8 | 4s | 61.938051 | -.00002041 |
| 9 | 5s | 1.834717 | -.00007285 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562577 | < R2 > | .376701 | < 1/R > | 2.591980 | < 1/R**2 > | 27.722243 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577876 | 1.01499746 |
| 2 | 2s | 18.821046 | -.02466651 |
| 3 | 3s | 9.621755 | .02347371 |
| 4 | 4s | 48.581169 | -.00008119 |
| 5 | 4s | 27.351550 | .00097348 |
| 6 | 2s | 69.788288 | .00001924 |
| 7 | 5s | 11.889531 | -.00876455 |
| 8 | 3s | 2.583536 | .00063265 |
| 9 | 4s | 2.957801 | -.00051826 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016700 | < 1/R > | 13.581418 | < 1/R**2 > | 372.393293 |
Total Energy= -288.64702510 a.u.
Kinetic Energy= 288.65358188 a.u.
Potential Energy= -577.30060698 a.u.
Virial Ratio = -1.99997728