(1s 2 2s 2 2p 4 5p 1 ) 4 P Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 5p- electron | |
| 1 | 2p | 4.975822 | .24724012 |
| 2 | 3p | 2.337955 | -2.56005862 |
| 3 | 4p | 2.150347 | 5.08035420 |
| 4 | 5p | 1.895337 | -3.31630824 |
| 5 | 2p | 10.160430 | .04637515 |
| 6 | 5p | 16.422164 | .00249191 |
| 7 | 4p | 38.423424 | -.00011204 |
| ORB.ENERGY,a.u. | -1.817200 | ||
| NORM | 1.000002 | < R > | 3.618727 | < R2 > | 14.722954 | < 1/R > | .399047 | < 1/R**2 > | .583321 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.042866 | 1.13200964 |
| 2 | 3p | 6.795216 | -.21040275 |
| 3 | 2p | 12.847297 | .07452039 |
| 4 | 4p | 15.301272 | .01181038 |
| 5 | 5p | 40.868709 | -.00012869 |
| 6 | 5p | 1.443821 | .00055798 |
| 7 | 4p | 3.145953 | -.00083324 |
| ORB.ENERGY,a.u. | -16.308000 | ||
| NORM | 1.000000 | < R > | .374194 | < R2 > | .171193 | < 1/R > | 3.417703 | < 1/R**2 > | 16.015716 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.488438 | .40555339 |
| 2 | 2s | 7.289738 | -.85548448 |
| 3 | 3s | 6.777057 | -.29978397 |
| 4 | 4s | 17.654585 | .00765126 |
| 5 | 3s | 20.440035 | .00785886 |
| 6 | 5s | 35.624633 | .00064105 |
| 7 | 5s | 6.683581 | -.00445306 |
| 8 | 2s | 85.687032 | .00000889 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420744 | < R2 > | .208203 | < 1/R > | 3.481841 | < 1/R**2 > | 49.498959 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159279 | .92074945 |
| 2 | 1s | 23.384472 | .07555622 |
| 3 | 2s | 10.454830 | .02019446 |
| 4 | 3s | 12.715597 | -.02018316 |
| 5 | 4s | 15.404860 | .00901261 |
| 6 | 5s | 41.392442 | .00077145 |
| 7 | 4s | 99.176439 | -.00002619 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091033 | < R2 > | .011121 | < 1/R > | 16.589817 | < 1/R**2 > | 554.538658 |
Total Energy= -419.13921144 a.u.
Kinetic Energy= 419.15378687 a.u.
Potential Energy= -838.29299830 a.u.
Virial Ratio = -1.99996523