(1s 2 2s 2 2p 5 3p 1 ) 1 D Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 5.173471 | .55039706 |
| 2 | 3p | 3.035059 | -1.17930404 |
| 3 | 4p | 8.205773 | -.06930777 |
| 4 | 2p | 12.427296 | .04341723 |
| 5 | 5p | 21.651405 | .00220161 |
| 6 | 4p | 30.911329 | .00015597 |
| 7 | 5p | 2.757850 | .00768102 |
| 8 | 3p | 1.865768 | -.00360552 |
| ORB.ENERGY,a.u. | -4.488400 | ||
| NORM | 1.000000 | < R > | 1.240176 | < R2 > | 1.757208 | < 1/R > | 1.086068 | < 1/R**2 > | 2.532387 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.879226 | 1.18789094 |
| 2 | 3p | 6.944911 | -.25346093 |
| 3 | 2p | 13.058818 | .06550983 |
| 4 | 4p | 15.867987 | .00894706 |
| 5 | 5p | 3.690989 | -.00105935 |
| 6 | 5p | 39.864152 | -.00013934 |
| 7 | 5p | 4.502913 | .00140170 |
| ORB.ENERGY,a.u. | -13.607000 | ||
| NORM | 1.000000 | < R > | .387678 | < R2 > | .184698 | < 1/R > | 3.318666 | < 1/R**2 > | 15.201974 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.586083 | .39174060 |
| 2 | 2s | 7.171861 | -.84267012 |
| 3 | 3s | 6.474510 | -.30533435 |
| 4 | 4s | 17.145320 | .00411533 |
| 5 | 3s | 18.177005 | .00772150 |
| 6 | 5s | 33.965221 | .00115566 |
| 7 | 5s | 5.800154 | -.00526366 |
| 8 | 4s | 40.686608 | .00032500 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .430615 | < R2 > | .218755 | < 1/R > | 3.399608 | < 1/R**2 > | 47.364766 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.180911 | .92771733 |
| 2 | 1s | 23.795180 | .06817498 |
| 3 | 2s | 10.229535 | .02122106 |
| 4 | 3s | 12.575137 | -.02156796 |
| 5 | 4s | 15.448302 | .01076614 |
| 6 | 5s | 40.731858 | .00056766 |
| 7 | 4s | 84.684345 | -.00004868 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091170 | < R2 > | .011162 | < 1/R > | 16.574063 | < 1/R**2 > | 553.724536 |
Total Energy= -436.50366791 a.u.
Kinetic Energy= 436.49020811 a.u.
Potential Energy= -872.99387602 a.u.
Virial Ratio = -2.00003084