(1s 2 2s 2 2p 4 5s 1 ) 2 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 11.885184 | .05248041 |
| 2 | 2s | 3.672630 | -.30793916 |
| 3 | 3s | 2.013701 | 1.54820448 |
| 4 | 4s | 1.486871 | -4.00196055 |
| 5 | 5s | 1.358273 | 3.33699939 |
| 6 | 5s | 11.745962 | -.01050399 |
| 7 | 4s | 14.943059 | -.00755686 |
| 8 | 5s | 40.433428 | -.00020226 |
| 9 | 3s | .840429 | .02059557 |
| 10 | 4s | 60.182996 | -.00004958 |
| ORB.ENERGY,a.u. | -.893740 | ||
| NORM | 1.000000 | < R > | 5.054268 | < R2 > | 28.589304 | < 1/R > | .279355 | < 1/R**2 > | .735981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.669070 | 1.19792685 |
| 2 | 3p | 5.480627 | -.26729122 |
| 3 | 2p | 10.806895 | .06621297 |
| 4 | 4p | 12.622400 | .01303039 |
| 5 | 5p | 2.970475 | .00021228 |
| 6 | 5p | 32.375247 | -.00015712 |
| ORB.ENERGY,a.u. | -8.705800 | ||
| NORM | 1.000000 | < R > | .484314 | < R2 > | .288530 | < 1/R > | 2.659832 | < 1/R**2 > | 9.783464 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.333755 | .32978787 |
| 2 | 2s | 4.919646 | -.76518677 |
| 3 | 3s | 7.652092 | -.23480293 |
| 4 | 4s | 5.814095 | -.07125124 |
| 5 | 5s | 16.190319 | -.01029553 |
| 6 | 5s | 1.910933 | -.01237788 |
| 7 | 3s | 1.019803 | .01251302 |
| 8 | 3s | 52.410677 | -.00009177 |
| 9 | 4s | 90.731552 | .00001901 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .532691 | < R2 > | .335124 | < 1/R > | 2.737769 | < 1/R**2 > | 30.682232 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204634 | .91786068 |
| 2 | 1s | 19.512079 | .07893639 |
| 3 | 2s | 8.823317 | .01871693 |
| 4 | 3s | 11.072148 | -.01744641 |
| 5 | 4s | 13.257295 | .00824962 |
| 6 | 5s | 33.717963 | .00091484 |
| 7 | 3s | 54.084335 | -.00007870 |
| 8 | 5s | 1.123592 | -.00428493 |
| 9 | 4s | .974722 | .00437254 |
| 10 | 3s | 1.410962 | -.00041641 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111170 | < R2 > | .016605 | < 1/R > | 13.600812 | < 1/R**2 > | 373.209768 |
Total Energy= -272.51446912 a.u.
Kinetic Energy= 272.50887866 a.u.
Potential Energy= -545.02334778 a.u.
Virial Ratio = -2.00002051