(1s 2 2s 2 2p 2 3p 1 ) 4 D Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 3p- electron | |
| 1 | 2p | 4.568726 | .67803019 |
| 2 | 3p | 2.927044 | -1.28033607 |
| 3 | 2p | 11.609961 | .02527345 |
| 4 | 4p | 7.301194 | -.06099835 |
| 5 | 5p | 17.545868 | .00242626 |
| 6 | 5p | 5.035851 | .02153913 |
| 7 | 4p | 2.560676 | .00389028 |
| ORB.ENERGY,a.u. | -4.231300 | ||
| NORM | 1.000000 | < R > | 1.316489 | < R2 > | 1.985210 | < 1/R > | 1.035764 | < 1/R**2 > | 2.257471 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.273264 | 1.18963673 |
| 2 | 3p | 6.194297 | -.21546803 |
| 3 | 2p | 13.382110 | .02115590 |
| 4 | 4p | 14.781471 | .00442948 |
| 5 | 5p | 30.377064 | -.00030469 |
| 6 | 5p | 3.826394 | .00323813 |
| ORB.ENERGY,a.u. | -11.985000 | ||
| NORM | 1.000000 | < R > | .448002 | < R2 > | .244541 | < 1/R > | 2.841232 | < 1/R**2 > | 11.008532 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.258054 | .39701938 |
| 2 | 2s | 5.894001 | -.84521797 |
| 3 | 3s | 6.073200 | -.27735269 |
| 4 | 4s | 22.876564 | .00230805 |
| 5 | 3s | 13.664739 | .01491529 |
| 6 | 5s | 5.794725 | -.02825129 |
| 7 | 5s | 2.494930 | -.00008762 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .508749 | < R2 > | .303934 | < 1/R > | 2.873207 | < 1/R**2 > | 33.563585 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.159229 | .92705549 |
| 2 | 1s | 20.475190 | .07207145 |
| 3 | 2s | 12.257180 | .01938552 |
| 4 | 3s | 15.692539 | -.01542223 |
| 5 | 5s | 32.618993 | .00095713 |
| 6 | 4s | 74.331216 | -.00004961 |
| 7 | 5s | 11.384255 | .00054683 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110827 | < R2 > | .016477 | < 1/R > | 13.626970 | < 1/R**2 > | 374.315171 |
Total Energy= -255.62449409 a.u.
Kinetic Energy= 255.69079438 a.u.
Potential Energy= -511.31528847 a.u.
Virial Ratio = -1.99974070