(1s 2 2s 2 2p 3 3p 1 ) 5 P Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5131.
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 | 2.700415 | 1.26906529 |
| 2 | 3p | 2.802704 | -1.93633748 |
| 3 | 2p | 8.536484 | .10306378 |
| 4 | 4p | 5.121682 | -.13791927 |
| 5 | 5p | 13.606882 | .00593156 |
| 6 | 5p | 2.498323 | -.08637668 |
| 7 | 4p | 28.670231 | -.00040989 |
| 8 | 4p | 2.198853 | .06810027 |
| 9 | 3p | 42.648396 | -.00003529 |
| ORB.ENERGY,a.u. | -3.391300 | ||
| NORM | 1.000000 | < R > | 1.434864 | < R2 > | 2.356097 | < 1/R > | .944311 | < 1/R**2 > | 1.898986 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.231169 | 1.37040918 |
| 2 | 3p | 6.719449 | -.46485704 |
| 3 | 4p | 8.357466 | .09023156 |
| 4 | 5p | 4.314914 | .00994789 |
| 5 | 4p | 20.787413 | -.00231151 |
| 6 | 3p | 22.676197 | -.00096250 |
| 7 | 4p | 4.026245 | -.00362706 |
| ORB.ENERGY,a.u. | -10.288000 | ||
| NORM | 1.000000 | < R > | .464446 | < R2 > | .263925 | < 1/R > | 2.754439 | < 1/R**2 > | 10.406854 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.237561 | .38769826 |
| 2 | 2s | 5.835202 | -.85016916 |
| 3 | 3s | 5.527185 | -.28593132 |
| 4 | 4s | 23.096029 | .00215323 |
| 5 | 3s | 13.442513 | .01550960 |
| 6 | 5s | 5.238436 | -.01394142 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .521653 | < R2 > | .320400 | < 1/R > | 2.798497 | < 1/R**2 > | 31.962709 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.168919 | .92688322 |
| 2 | 1s | 20.357481 | .07169783 |
| 3 | 2s | 11.797612 | .01818286 |
| 4 | 3s | 16.667464 | -.01484175 |
| 5 | 4s | 25.874345 | .00300468 |
| 6 | 5s | 48.856629 | .00008239 |
| 7 | 5s | 10.445864 | .00072206 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .111028 | < R2 > | .016550 | < 1/R > | 13.611427 | < 1/R**2 > | 373.656392 |
Total Energy= -265.96640304 a.u.
Kinetic Energy= 266.01813248 a.u.
Potential Energy= -531.98453552 a.u.
Virial Ratio = -1.99980554