(1s 2 2s 2 2p 6 3s 1 3p 1 ) 1 P Si 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3.874318 | .25106680 |
| 2 | 2p | 1.161778 | -.59963253 |
| 3 | 3p | 1.371941 | -.46004937 |
| 4 | 2p | 7.805517 | .06997591 |
| 5 | 3p | 13.146874 | -.00273846 |
| 6 | 4p | 5.926852 | -.00000687 |
| 7 | 5p | 39.008488 | -.00002729 |
| ORB.ENERGY,a.u. | -.792200 | ||
| NORM | 1.000000 | < R > | 2.434698 | < R2 > | 6.871826 | < 1/R > | .537803 | < 1/R**2 > | .640555 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.634673 | -.00650131 |
| 2 | 1s | 8.421180 | .13659463 |
| 3 | 1s | 16.203715 | .01423033 |
| 4 | 2s | 5.663215 | -.35535568 |
| 5 | 3s | 1.711515 | .75151591 |
| 6 | 4s | 2.797753 | .31933123 |
| 7 | 5s | 6.596376 | -.06333476 |
| 8 | 4s | 1.632923 | -.01374113 |
| 9 | 3s | 41.337089 | -.00005979 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000000 | < R > | 1.936304 | < R2 > | 4.285608 | < 1/R > | .693609 | < 1/R**2 > | 2.769700 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.641692 | .43310950 |
| 2 | 3p | 5.858689 | .49498071 |
| 3 | 4p | 4.649899 | .18387706 |
| 4 | 5p | 3.471040 | .00903339 |
| 5 | 2p | 16.118935 | .00387616 |
| 6 | 5p | 33.363887 | -.00012816 |
| 7 | 4p | 93.880058 | .00000164 |
| 8 | 3p | 1.257420 | .00080356 |
| 9 | 3p | 14.598560 | -.00190693 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .533990 | < R2 > | .357393 | < 1/R > | 2.460938 | < 1/R**2 > | 8.546900 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.459548 | .34833019 |
| 2 | 2s | 5.547693 | -.82005587 |
| 3 | 3s | 4.636892 | -.30627122 |
| 4 | 4s | 20.278023 | .00287818 |
| 5 | 3s | 15.221692 | .00714350 |
| 6 | 2s | 1.849106 | -.00859506 |
| 7 | 5s | 38.293251 | .00016575 |
| 8 | 5s | 61.648699 | .00000837 |
| 9 | 5s | 1.330573 | -.00135112 |
| 10 | 3s | .965988 | .00153130 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .563221 | < R2 > | .377817 | < 1/R > | 2.589736 | < 1/R**2 > | 27.680651 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.586738 | 1.01400339 |
| 2 | 2s | 19.347629 | -.02234444 |
| 3 | 3s | 9.833919 | .02003110 |
| 4 | 4s | 53.739319 | -.00039060 |
| 5 | 4s | 10.502875 | .00280580 |
| 6 | 5s | 69.877920 | .00011886 |
| 7 | 5s | 11.824096 | -.00881112 |
| 8 | 2s | 166.919345 | .00000124 |
| 9 | 2s | 5.039590 | .00077085 |
| 10 | 5s | 2.731747 | -.00006584 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111429 | < R2 > | .016700 | < 1/R > | 13.581351 | < 1/R**2 > | 372.391764 |
Total Energy= -287.74473202 a.u.
Kinetic Energy= 287.61363619 a.u.
Potential Energy= -575.35836822 a.u.
Virial Ratio = -2.00045581