(1s 2 2s 2 2p 3 3p 1 ) 3 P Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2.419153 | 1.34336700 |
| 2 | 3p | 2.664701 | -2.09047155 |
| 3 | 2p | 8.576870 | .08457257 |
| 4 | 4p | 4.740062 | -.09559947 |
| 5 | 5p | 14.175889 | .00309572 |
| 6 | 5p | 2.309146 | -.02899687 |
| 7 | 4p | 30.056570 | -.00026211 |
| 8 | 4p | 1.866801 | .01172205 |
| 9 | 3p | 48.808643 | -.00001695 |
| ORB.ENERGY,a.u. | -3.276000 | ||
| NORM | 1.000000 | < R > | 1.505273 | < R2 > | 2.557852 | < 1/R > | .853173 | < 1/R**2 > | 1.439993 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.276037 | 1.35199253 |
| 2 | 3p | 6.820140 | -.43145395 |
| 3 | 4p | 8.388281 | .08273433 |
| 4 | 5p | 3.120813 | -.01079045 |
| 5 | 4p | 20.825512 | -.00240187 |
| 6 | 3p | 23.062903 | -.00092362 |
| 7 | 4p | 3.063231 | -.00860135 |
| ORB.ENERGY,a.u. | -10.173000 | ||
| NORM | 1.000000 | < R > | .457838 | < R2 > | .254418 | < 1/R > | 2.777533 | < 1/R**2 > | 10.539932 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.210944 | .38918472 |
| 2 | 2s | 5.846504 | -.85417744 |
| 3 | 3s | 5.486718 | -.28751154 |
| 4 | 4s | 23.430385 | .00215930 |
| 5 | 3s | 13.176824 | .01682543 |
| 6 | 5s | 5.158734 | -.01045502 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .521460 | < R2 > | .320114 | < 1/R > | 2.799328 | < 1/R**2 > | 31.979132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.168919 | .92683818 |
| 2 | 1s | 20.354717 | .07173971 |
| 3 | 2s | 11.797176 | .01818435 |
| 4 | 3s | 16.665369 | -.01484206 |
| 5 | 4s | 25.885957 | .00300403 |
| 6 | 5s | 48.809317 | .00008222 |
| 7 | 5s | 10.438031 | .00073206 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .111027 | < R2 > | .016550 | < 1/R > | 13.611520 | < 1/R**2 > | 373.660743 |
Total Energy= -265.96270029 a.u.
Kinetic Energy= 265.90309904 a.u.
Potential Energy= -531.86579933 a.u.
Virial Ratio = -2.00022415