(1s 2 2s 2 2p 6 4p 1 ) 2 P Si 3+
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 | 5p | 1.296994 | 1.03920310 |
| 2 | 5p | 6.937001 | -.01853955 |
| 3 | 3p | 2.646849 | -.17169709 |
| 4 | 2p | .777367 | .18391606 |
| 5 | 3p | 14.559384 | -.00121076 |
| 6 | 2p | 4.605968 | .29238633 |
| 7 | 3p | 6.598543 | -.09733267 |
| 8 | 4p | 2.133211 | -.62864808 |
| ORB.ENERGY,a.u. | -.659800 | ||
| NORM | 1.000000 | < R > | 4.340193 | < R2 > | 21.313470 | < 1/R > | .319535 | < 1/R**2 > | .311866 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.354121 | .46547132 |
| 2 | 3p | 5.593683 | .50412889 |
| 3 | 4p | 4.343177 | .18787582 |
| 4 | 5p | 3.202636 | .03586141 |
| 5 | 2p | 15.342500 | .00650519 |
| 6 | 5p | 31.338308 | -.00031089 |
| 7 | 3p | 2.673873 | -.07922597 |
| 8 | 4p | 42.474718 | -.00005866 |
| 9 | 5p | .887392 | -.00004361 |
| ORB.ENERGY,a.u. | -5.466800 | ||
| NORM | 1.000000 | < R > | .531103 | < R2 > | .352653 | < 1/R > | 2.469881 | < 1/R**2 > | 8.598283 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.469934 | .34835023 |
| 2 | 2s | 5.540696 | -.82221499 |
| 3 | 3s | 4.627284 | -.30873876 |
| 4 | 4s | 18.506534 | .00652590 |
| 5 | 3s | 19.298774 | .00319527 |
| 6 | 4s | 1.722167 | -.00401943 |
| 7 | 5s | 37.641866 | .00022539 |
| 8 | 5s | 1.939750 | .00360527 |
| 9 | 2s | 19.649608 | .00006054 |
| 10 | 4s | 116.111563 | -.00000172 |
| ORB.ENERGY,a.u. | -7.379900 | ||
| NORM | 1.000000 | < R > | .561903 | < R2 > | .375503 | < 1/R > | 2.593947 | < 1/R**2 > | 27.754965 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587449 | 1.01395254 |
| 2 | 2s | 19.350807 | -.02229337 |
| 3 | 3s | 9.833848 | .02005269 |
| 4 | 4s | 53.755481 | -.00038969 |
| 5 | 4s | 10.942345 | .00266072 |
| 6 | 5s | 69.991582 | .00011810 |
| 7 | 5s | 11.919704 | -.00860681 |
| 8 | 2s | 166.217139 | .00000125 |
| 9 | 2s | 4.837966 | .00070603 |
| ORB.ENERGY,a.u. | -69.510000 |
| NORM | 1.000000 | < R > | .111425 | < R2 > | .016699 | < 1/R > | 13.581708 | < 1/R**2 > | 372.408692 |
Total Energy= -285.84055954 a.u.
Kinetic Energy= 285.84057397 a.u.
Potential Energy= -571.68113351 a.u.
Virial Ratio = -1.99999995