(1s 2 2s 2 2p 6 3s 1 5s 1 ) 1 S Si 2+
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 | 11.527829 | .01845556 |
| 2 | 2s | 4.507026 | -.07172427 |
| 3 | 3s | 1.557103 | .46720840 |
| 4 | 4s | 1.033056 | -1.59216882 |
| 5 | 5s | .781727 | 1.70284324 |
| 6 | 5s | 15.257171 | -.00112955 |
| 7 | 4s | 6.798207 | -.00054325 |
| ORB.ENERGY,a.u. | -.282540 | ||
| NORM | 1.000000 | < R > | 8.020376 | < R2 > | 71.467310 | < 1/R > | .154046 | < 1/R**2 > | .105151 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .630207 | 1.51476010 |
| 2 | 1s | 11.989873 | .08692177 |
| 3 | 2s | 4.762385 | -.60566312 |
| 4 | 3s | .989383 | -.92503476 |
| 5 | 4s | 2.430370 | .45748103 |
| 6 | 5s | 15.043740 | -.00505865 |
| 7 | 4s | 4.549869 | -.14761325 |
| 8 | 3s | 53.851067 | -.00002866 |
| 9 | 5s | .735360 | .08336829 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000000 | < R > | 1.872266 | < R2 > | 4.322985 | < 1/R > | .730839 | < 1/R**2 > | 3.080274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.580177 | .43698384 |
| 2 | 3p | 5.859866 | .48556606 |
| 3 | 4p | 4.701993 | .18429938 |
| 4 | 5p | 3.725811 | .01107393 |
| 5 | 2p | 16.789676 | .00426332 |
| 6 | 5p | 33.242974 | -.00014637 |
| 7 | 4p | 102.964909 | .00000125 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .533052 | < R2 > | .355810 | < 1/R > | 2.463768 | < 1/R**2 > | 8.563003 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.462739 | .34875722 |
| 2 | 2s | 5.549296 | -.81982754 |
| 3 | 3s | 4.649012 | -.30573248 |
| 4 | 4s | 19.131062 | .00369691 |
| 5 | 3s | 16.180105 | .00599211 |
| 6 | 2s | 2.338763 | -.00702014 |
| 7 | 5s | 38.207061 | .00019671 |
| 8 | 4s | .729248 | -.00258004 |
| 9 | 5s | .804462 | .00273385 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .562061 | < R2 > | .375943 | < 1/R > | 2.594202 | < 1/R**2 > | 27.765524 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587142 | 1.01399683 |
| 2 | 2s | 19.340752 | -.02232043 |
| 3 | 3s | 9.855510 | .01994778 |
| 4 | 4s | 54.412946 | -.00040356 |
| 5 | 4s | 10.378470 | .00285550 |
| 6 | 5s | 71.161465 | .00012817 |
| 7 | 5s | 11.812639 | -.00880876 |
| 8 | 2s | 185.815244 | .00000091 |
| 9 | 2s | 4.990718 | .00076614 |
| 10 | 5s | 1.719346 | -.00000724 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111421 | < R2 > | .016697 | < 1/R > | 13.581958 | < 1/R**2 > | 372.417156 |
Total Energy= -287.10702765 a.u.
Kinetic Energy= 287.10371105 a.u.
Potential Energy= -574.21073870 a.u.
Virial Ratio = -2.00001155