(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 3 S Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | .362658 | 1.10895549 |
| 2 | 5p | .477816 | .29132849 |
| 3 | 4p | 2.711866 | -.11003226 |
| 4 | 2p | 5.841311 | .03976320 |
| 5 | 5p | 2.010034 | -.10856029 |
| 6 | 3p | 8.133065 | -.00630348 |
| 7 | 3p | .801009 | -.50805000 |
| 8 | 4p | 25.444681 | -.00007697 |
| 9 | 4p | .298379 | .01339423 |
| ORB.ENERGY,a.u. | -.071589 | ||
| NORM | 1.000001 | < R > | 9.683724 | < R2 > | 105.062714 | < 1/R > | .123439 | < 1/R**2 > | .033319 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.498546 | .23585465 |
| 2 | 2p | .916380 | -.96101057 |
| 3 | 3p | 1.713806 | -.25244382 |
| 4 | 2p | 6.942782 | .10583202 |
| 5 | 3p | 9.306046 | -.01203070 |
| 6 | 4p | 1.152156 | .08977919 |
| 7 | 4p | 24.141516 | -.00043804 |
| 8 | 5p | 70.406567 | -.00001433 |
| 9 | 5p | 1.192602 | .09478356 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.453788 | < R2 > | 7.005837 | < 1/R > | .533510 | < 1/R**2 > | .626811 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.286660 | -.15848230 |
| 2 | 1s | 9.507955 | .18332895 |
| 3 | 1s | 21.848170 | .00210245 |
| 4 | 2s | 4.235520 | -.26863644 |
| 5 | 3s | 1.707003 | .86384231 |
| 6 | 4s | 3.075523 | .15692172 |
| 7 | 5s | 1.537597 | .07133388 |
| 8 | 4s | 44.834956 | -.00006264 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.095472 | < R2 > | 5.058963 | < 1/R > | .633519 | < 1/R**2 > | 2.220216 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177362 | .48221848 |
| 2 | 3p | 5.436523 | .49339467 |
| 3 | 4p | 4.264564 | .12710826 |
| 4 | 5p | 2.733581 | .00341412 |
| 5 | 2p | 14.230629 | .00945187 |
| 6 | 5p | 31.544504 | -.00045834 |
| 7 | 4p | 45.439656 | -.00008187 |
| 8 | 3p | 1.022820 | .00007380 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535310 | < R2 > | .359534 | < 1/R > | 2.456770 | < 1/R**2 > | 8.522738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398681 | .35140439 |
| 2 | 2s | 4.934636 | -.77287633 |
| 3 | 3s | 4.397730 | -.16879924 |
| 4 | 4s | 21.982099 | .00178020 |
| 5 | 2s | 6.454565 | -.18123509 |
| 6 | 3s | 14.455916 | .01042359 |
| 7 | 4s | 3.406983 | -.00410080 |
| 8 | 4s | 61.925971 | -.00002041 |
| 9 | 5s | 1.779676 | -.00007208 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562577 | < R2 > | .376702 | < 1/R > | 2.591979 | < 1/R**2 > | 27.722210 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577876 | 1.01499743 |
| 2 | 2s | 18.821057 | -.02466649 |
| 3 | 3s | 9.621750 | .02347372 |
| 4 | 4s | 48.580789 | -.00008119 |
| 5 | 4s | 27.351597 | .00097348 |
| 6 | 2s | 69.787942 | .00001924 |
| 7 | 5s | 11.889518 | -.00876456 |
| 8 | 3s | 2.583513 | .00063264 |
| 9 | 4s | 2.957790 | -.00051825 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016700 | < 1/R > | 13.581418 | < 1/R**2 > | 372.393271 |
Total Energy= -288.64772260 a.u.
Kinetic Energy= 288.64470073 a.u.
Potential Energy= -577.29242333 a.u.
Virial Ratio = -2.00001047