(1s 2 2s 2 2p 2 5p 1 ) 2 S Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 5.051490 | .36194386 |
| 2 | 3p | 2.641007 | -3.37553150 |
| 3 | 4p | 2.372928 | 8.04229405 |
| 4 | 5p | 2.313217 | -5.61102074 |
| 5 | 2p | 10.193865 | .04362334 |
| 6 | 5p | 32.269388 | -.00060791 |
| 7 | 4p | 47.431326 | -.00014605 |
| 8 | 5p | 1.838959 | -.02929871 |
| ORB.ENERGY,a.u. | -2.616100 | ||
| NORM | 1.000003 | < R > | 3.074586 | < R2 > | 10.629580 | < 1/R > | .470397 | < 1/R**2 > | .779014 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.758720 | 1.12764889 |
| 2 | 3p | 7.819340 | -.15164258 |
| 3 | 2p | 15.867224 | .02310106 |
| 4 | 4p | 18.148558 | .00607389 |
| 5 | 5p | 29.883174 | -.00039313 |
| 6 | 5p | 1.465135 | .00008559 |
| 7 | 4p | 6.686751 | -.00380200 |
| 8 | 3p | 47.987492 | .00004517 |
| ORB.ENERGY,a.u. | -65.127000 | ||
| NORM | 1.000000 | < R > | .351480 | < R2 > | .149797 | < 1/R > | 3.603448 | < 1/R**2 > | 17.609327 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.330833 | .43078581 |
| 2 | 2s | 7.487911 | -.86866142 |
| 3 | 3s | 7.645689 | -.28601282 |
| 4 | 4s | 28.770229 | .00196513 |
| 5 | 3s | 15.626734 | .01742831 |
| 6 | 5s | 7.713061 | -.02090121 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404066 | < R2 > | .191255 | < 1/R > | 3.634043 | < 1/R**2 > | 53.558420 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060166 | .92145234 |
| 2 | 1s | 24.151841 | .07730283 |
| 3 | 2s | 15.009392 | .01929545 |
| 4 | 3s | 18.606094 | -.01560939 |
| 5 | 5s | 40.392882 | .00085032 |
| 6 | 4s | 97.348963 | -.00003099 |
| 7 | 5s | 12.768967 | .00031103 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090734 | < R2 > | .011032 | < 1/R > | 16.624660 | < 1/R**2 > | 556.346723 |
Total Energy= -383.75281645 a.u.
Kinetic Energy= 383.77681875 a.u.
Potential Energy= -767.52963520 a.u.
Virial Ratio = -1.99993746