(1s 2 2s 2 2p 6 3s 1 4d 1 ) 1 D Si 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | .703121 | 3.14187830 |
| 2 | 4d | .782046 | -3.45580553 |
| 3 | 5d | 1.426352 | -.09622900 |
| 4 | 4d | 3.358018 | .04660865 |
| 5 | 3d | 5.089030 | .01712591 |
| 6 | 5d | .726859 | -.22597195 |
| 7 | 5d | 9.009312 | -.00043146 |
| 8 | 4d | 33.878851 | .00000554 |
| ORB.ENERGY,a.u. | -.291390 | ||
| NORM | 1.000003 | < R > | 6.595585 | < R2 > | 50.485173 | < 1/R > | .210779 | < 1/R**2 > | .079961 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .776123 | -.07245285 |
| 2 | 1s | 8.123990 | .14266872 |
| 3 | 1s | 16.282961 | .01461658 |
| 4 | 2s | 5.780361 | -.35693601 |
| 5 | 3s | 1.804890 | .76946059 |
| 6 | 4s | 2.727742 | .33923278 |
| 7 | 5s | 6.643101 | -.06492931 |
| 8 | 4s | 54.304091 | -.00003622 |
| 9 | 3s | .914381 | .01562559 |
| 10 | 2s | 40.471684 | -.00000768 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000000 | < R > | 1.886649 | < R2 > | 4.047327 | < 1/R > | .709607 | < 1/R**2 > | 2.881524 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.579748 | .43726432 |
| 2 | 3p | 5.859048 | .48542045 |
| 3 | 4p | 4.701155 | .18436930 |
| 4 | 5p | 3.684886 | .01101088 |
| 5 | 2p | 16.846862 | .00421190 |
| 6 | 5p | 32.949109 | -.00014191 |
| 7 | 4p | 95.380547 | .00000151 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .533026 | < R2 > | .355806 | < 1/R > | 2.463993 | < 1/R**2 > | 8.564663 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.456646 | .34895639 |
| 2 | 2s | 5.550363 | -.82128034 |
| 3 | 3s | 4.639551 | -.30669330 |
| 4 | 4s | 20.126913 | .00294839 |
| 5 | 3s | 15.312157 | .00705296 |
| 6 | 2s | 1.993679 | -.00586715 |
| 7 | 5s | 37.862918 | .00017391 |
| 8 | 5s | 58.741711 | .00000996 |
| 9 | 5s | 1.302303 | -.00049046 |
| 10 | 3s | .951200 | .00057514 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .562241 | < R2 > | .376233 | < 1/R > | 2.593568 | < 1/R**2 > | 27.753799 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587176 | 1.01399650 |
| 2 | 2s | 19.340402 | -.02232011 |
| 3 | 3s | 9.856490 | .01994526 |
| 4 | 4s | 54.406067 | -.00040371 |
| 5 | 4s | 10.377100 | .00285619 |
| 6 | 5s | 71.173410 | .00012818 |
| 7 | 5s | 11.813160 | -.00880813 |
| 8 | 2s | 185.222739 | .00000091 |
| 9 | 2s | 4.990766 | .00076641 |
| 10 | 5s | 1.758054 | -.00000559 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111420 | < R2 > | .016697 | < 1/R > | 13.582000 | < 1/R**2 > | 372.419149 |
Total Energy= -287.16093176 a.u.
Kinetic Energy= 287.11293677 a.u.
Potential Energy= -574.27386853 a.u.
Virial Ratio = -2.00016716