(1s 2 2s 2 2p 1 5p 1 ) 3 S Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 5.492962 | .37367997 |
| 2 | 3p | 2.780670 | -3.37885543 |
| 3 | 4p | 2.466823 | 9.32801882 |
| 4 | 5p | 2.467551 | -6.81113925 |
| 5 | 2p | 10.742632 | .03106171 |
| 6 | 5p | 4.696589 | -.17743893 |
| 7 | 5p | 38.001901 | -.00041754 |
| 8 | 4p | 59.107632 | -.00006526 |
| 9 | 4p | 1.504845 | .00336543 |
| ORB.ENERGY,a.u. | -3.035100 | ||
| NORM | 1.000000 | < R > | 2.889173 | < R2 > | 9.388551 | < 1/R > | .501061 | < 1/R**2 > | .870781 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.152606 | 1.08127829 |
| 2 | 3p | 8.621095 | -.09448101 |
| 3 | 2p | 17.710078 | .01145386 |
| 4 | 5p | 21.649524 | .00240331 |
| 5 | 5p | 8.148888 | .00227242 |
| ORB.ENERGY,a.u. | -23.625000 | ||
| NORM | 1.000000 | < R > | .341897 | < R2 > | .141325 | < 1/R > | 3.691530 | < 1/R**2 > | 18.404558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.557884 | .38555025 |
| 2 | 2s | 6.581169 | -.81482339 |
| 3 | 3s | 9.417225 | -.28559128 |
| 4 | 4s | 31.623704 | .00126990 |
| 5 | 5s | 18.201228 | -.00889997 |
| 6 | 5s | 7.254528 | .01692717 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396128 | < R2 > | .183505 | < 1/R > | 3.712040 | < 1/R**2 > | 55.685866 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.192975 | .93671941 |
| 2 | 1s | 24.938413 | .06039192 |
| 3 | 2s | 15.019203 | .02021052 |
| 4 | 3s | 18.372948 | -.01489062 |
| 5 | 4s | 83.010433 | -.00006132 |
| 6 | 5s | 38.961599 | .00068366 |
| 7 | 5s | 9.184046 | .00003518 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090557 | < R2 > | .010980 | < 1/R > | 16.645784 | < 1/R**2 > | 557.448974 |
Total Energy= -362.45455989 a.u.
Kinetic Energy= 362.45510992 a.u.
Potential Energy= -724.90966981 a.u.
Virial Ratio = -1.99999848