(1s 2 2s 2 2p 5 5s 1 ) 3 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 13.900144 | .06364486 |
| 2 | 2s | 4.886741 | -.33750883 |
| 3 | 3s | 2.261061 | 2.58927249 |
| 4 | 4s | 2.115116 | -4.52517279 |
| 5 | 5s | 1.757975 | 2.74825115 |
| 6 | 5s | 15.609195 | -.00776919 |
| 7 | 4s | 19.271060 | -.00410400 |
| 8 | 5s | 49.593871 | -.00009677 |
| 9 | 4s | 70.007734 | -.00003496 |
| 10 | 3s | .849557 | -.00444997 |
| ORB.ENERGY,a.u. | -1.565500 | ||
| NORM | 1.000003 | < R > | 3.849984 | < R2 > | 16.587801 | < 1/R > | .372233 | < 1/R**2 > | 1.393171 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.884298 | 1.18708465 |
| 2 | 3p | 6.944930 | -.25342836 |
| 3 | 2p | 13.041019 | .06598250 |
| 4 | 4p | 15.793117 | .00934707 |
| 5 | 5p | 39.633985 | -.00014048 |
| 6 | 5p | 4.490205 | .00029896 |
| ORB.ENERGY,a.u. | -14.338000 | ||
| NORM | 1.000000 | < R > | .387037 | < R2 > | .184072 | < 1/R > | 3.323572 | < 1/R**2 > | 15.242900 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.872882 | .34292868 |
| 2 | 2s | 6.119598 | -.78377340 |
| 3 | 3s | 9.586983 | -.22548748 |
| 4 | 4s | 7.414340 | -.06964767 |
| 5 | 5s | 20.418963 | -.00740651 |
| 6 | 5s | 2.411575 | .01367972 |
| 7 | 4s | 1.955863 | -.01409334 |
| 8 | 4s | 72.290718 | -.00003127 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429404 | < R2 > | .217387 | < 1/R > | 3.408816 | < 1/R**2 > | 47.598818 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183827 | .92687158 |
| 2 | 1s | 23.697293 | .06900268 |
| 3 | 2s | 9.973191 | .02144674 |
| 4 | 3s | 12.375732 | -.02199360 |
| 5 | 4s | 15.459925 | .01077389 |
| 6 | 5s | 40.705536 | .00072261 |
| 7 | 4s | 93.595337 | -.00003333 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091152 | < R2 > | .011157 | < 1/R > | 16.576265 | < 1/R**2 > | 553.839147 |
Total Energy= -433.56633192 a.u.
Kinetic Energy= 433.56839641 a.u.
Potential Energy= -867.13472833 a.u.
Virial Ratio = -1.99999524