(1s 2 2s 2 2p 2 4p 1 ) 2 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 6.426912 | .21201831 |
| 2 | 3p | 1.832836 | -.54378928 |
| 3 | 5p | 2.286639 | 1.50499770 |
| 4 | 4p | 3.381474 | -.68922589 |
| 5 | 5p | 7.778988 | .04021837 |
| 6 | 4p | 63.051329 | -.00005672 |
| 7 | 4p | 17.970404 | -.00247889 |
| 8 | 5p | 1.959191 | .15782169 |
| 9 | 5p | 40.301844 | -.00031227 |
| ORB.ENERGY,a.u. | -2.198600 | ||
| NORM | 1.000000 | < R > | 2.619629 | < R2 > | 7.745633 | < 1/R > | .520615 | < 1/R**2 > | .695733 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.557277 | 1.24247325 |
| 2 | 3p | 7.243688 | -.28845403 |
| 3 | 4p | 8.809572 | .04628459 |
| 4 | 5p | 2.535517 | .09660483 |
| 5 | 4p | 2.297930 | -.15681987 |
| 6 | 3p | 1.837962 | .07677358 |
| 7 | 5p | 31.942801 | -.00023375 |
| 8 | 3p | 15.525898 | -.00488584 |
| ORB.ENERGY,a.u. | -12.327000 | ||
| NORM | 1.000000 | < R > | .444538 | < R2 > | .242301 | < 1/R > | 2.859480 | < 1/R**2 > | 11.124685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.210599 | .40072827 |
| 2 | 2s | 5.940323 | -.84513972 |
| 3 | 3s | 6.156161 | -.27694948 |
| 4 | 4s | 23.531738 | .00229866 |
| 5 | 3s | 13.068781 | .01821624 |
| 6 | 5s | 6.152210 | -.03536608 |
| 7 | 4s | 1.669787 | .00014070 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .507141 | < R2 > | .301786 | < 1/R > | 2.881931 | < 1/R**2 > | 33.748659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161132 | .92628612 |
| 2 | 1s | 20.404011 | .07282087 |
| 3 | 2s | 12.132344 | .01942274 |
| 4 | 3s | 15.605979 | -.01547392 |
| 5 | 5s | 32.762747 | .00104601 |
| 6 | 4s | 78.181140 | -.00004029 |
| 7 | 5s | 10.461937 | .00043000 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110802 | < R2 > | .016468 | < 1/R > | 13.629087 | < 1/R**2 > | 374.406789 |
Total Energy= -253.69657462 a.u.
Kinetic Energy= 253.65988929 a.u.
Potential Energy= -507.35646391 a.u.
Virial Ratio = -2.00014462