(1s 2 2s 2 2p 6 3s 1 4s 1 ) 3 S Si 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 12.179207 | .04464716 |
| 2 | 2s | 3.971334 | -.19780859 |
| 3 | 3s | 1.909328 | .53123050 |
| 4 | 4s | 1.124275 | -1.45819810 |
| 5 | 5s | 11.570922 | -.01239524 |
| 6 | 4s | 14.648612 | -.00902805 |
| 7 | 3s | 22.257922 | -.00066028 |
| 8 | 5s | .949408 | -.08643338 |
| 9 | 2s | .763377 | .44121462 |
| ORB.ENERGY,a.u. | -.521210 | ||
| NORM | 1.000000 | < R > | 4.437640 | < R2 > | 21.932788 | < 1/R > | .294472 | < 1/R**2 > | .604947 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .805796 | .86336836 |
| 2 | 1s | 12.237481 | .08544558 |
| 3 | 2s | 4.581082 | -.57084980 |
| 4 | 3s | 1.051301 | -.26369333 |
| 5 | 4s | 2.461919 | .53620425 |
| 6 | 5s | 5.426246 | -.05019751 |
| 7 | 4s | 11.974551 | -.01238589 |
| 8 | 2s | 61.604662 | .00000843 |
| 9 | 5s | .569828 | -.00066502 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000000 | < R > | 1.865551 | < R2 > | 3.954936 | < 1/R > | .718918 | < 1/R**2 > | 2.968951 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.588975 | .43608422 |
| 2 | 3p | 5.864987 | .48559109 |
| 3 | 4p | 4.717815 | .18376471 |
| 4 | 5p | 3.808955 | .01314799 |
| 5 | 2p | 16.941948 | .00409230 |
| 6 | 5p | 32.367591 | -.00014479 |
| 7 | 4p | 93.163795 | .00000202 |
| 8 | 3p | .842216 | -.00007917 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .533319 | < R2 > | .356229 | < 1/R > | 2.462899 | < 1/R**2 > | 8.557949 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.462232 | .34871601 |
| 2 | 2s | 5.560220 | -.81566090 |
| 3 | 3s | 4.663997 | -.30793851 |
| 4 | 4s | 18.537024 | .00729366 |
| 5 | 3s | 20.785490 | .00255601 |
| 6 | 2s | 2.358075 | -.00955193 |
| 7 | 5s | 37.021113 | .00025342 |
| 8 | 4s | .611054 | .00251669 |
| 9 | 5s | .693025 | -.00217153 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .562230 | < R2 > | .376218 | < 1/R > | 2.593646 | < 1/R**2 > | 27.755736 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587127 | 1.01399680 |
| 2 | 2s | 19.340690 | -.02232030 |
| 3 | 3s | 9.855076 | .01994881 |
| 4 | 4s | 54.428889 | -.00040353 |
| 5 | 4s | 10.375582 | .00285625 |
| 6 | 5s | 71.131624 | .00012829 |
| 7 | 5s | 11.813056 | -.00880858 |
| 8 | 2s | 187.953892 | .00000089 |
| 9 | 2s | 5.003444 | .00076372 |
| 10 | 5s | 2.403833 | -.00000642 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111421 | < R2 > | .016697 | < 1/R > | 13.581944 | < 1/R**2 > | 372.416298 |
Total Energy= -287.33424466 a.u.
Kinetic Energy= 287.34197428 a.u.
Potential Energy= -574.67621894 a.u.
Virial Ratio = -1.99997310