(1s 2 2s 1 4p 1 ) 3 P Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 5.616037 | .48715352 |
| 2 | 3p | 3.191229 | -1.02122514 |
| 3 | 5p | 2.969128 | 1.55389012 |
| 4 | 4p | 4.630808 | -.40525189 |
| 5 | 5p | 6.597014 | .11114057 |
| 6 | 4p | 14.801138 | -.01194308 |
| 7 | 5p | 32.666805 | -.00169156 |
| 8 | 4p | 55.158745 | -.00049295 |
| 9 | 3p | 1.750239 | .01467765 |
| 10 | 5p | 80.518604 | .00013819 |
| ORB.ENERGY,a.u. | -3.911500 | ||
| NORM | 1.000000 | < R > | 2.022396 | < R2 > | 4.637895 | < 1/R > | .712344 | < 1/R**2 > | 1.398847 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.401609 | .42410048 |
| 2 | 2s | 6.109338 | -.79705275 |
| 3 | 3s | 6.884072 | -.30762869 |
| 4 | 5s | 12.391524 | -.03232209 |
| 5 | 4s | 26.279336 | .00537095 |
| 6 | 5s | 35.462504 | -.00136665 |
| 7 | 4s | 1.439790 | .00323134 |
| 8 | 3s | 65.031445 | .00003505 |
| 9 | 5s | 1.657434 | -.00293610 |
| ORB.ENERGY,a.u. | -18.601000 | ||
| NORM | 1.000000 | < R > | .472230 | < R2 > | .260094 | < 1/R > | 3.118833 | < 1/R**2 > | 39.221348 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.404746 | .93658740 |
| 2 | 1s | 21.448906 | .05158009 |
| 3 | 2s | 16.514260 | .01659487 |
| 4 | 3s | 7.719959 | .00070031 |
| 5 | 4s | 55.100788 | -.00054837 |
| 6 | 5s | 73.398317 | .00020519 |
| 7 | 5s | 15.974785 | .00080322 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110268 | < R2 > | .016280 | < 1/R > | 13.673152 | < 1/R**2 > | 376.327371 |
Total Energy= -210.44169522 a.u.
Kinetic Energy= 210.44676848 a.u.
Potential Energy= -420.88846371 a.u.
Virial Ratio = -1.99997589