(1s 2 2s 1 5s 1 ) 3 S Ar 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 9.626960 | .16958130 |
| 2 | 2s | 2.593439 | -6.27332040 |
| 3 | 3s | 3.615771 | 9.55370977 |
| 4 | 4s | 3.098665 | -9.71144433 |
| 5 | 5s | 3.051346 | 7.49811517 |
| 6 | 5s | 13.261203 | .00246425 |
| 7 | 1s | 23.002438 | .00589694 |
| 8 | 4s | 59.543106 | -.00005230 |
| ORB.ENERGY,a.u. | -4.693800 | ||
| NORM | .999998 | < R > | 2.404945 | < R2 > | 6.474108 | < 1/R > | .614061 | < 1/R**2 > | 3.746930 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.568096 | .44202854 |
| 2 | 2s | 7.943042 | -.82046569 |
| 3 | 3s | 9.450757 | -.30643763 |
| 4 | 5s | 16.249624 | -.01898033 |
| 5 | 4s | 31.661409 | .00474875 |
| 6 | 5s | 41.679848 | -.00112504 |
| 7 | 4s | 104.387301 | .00001721 |
| ORB.ENERGY,a.u. | -33.214000 | ||
| NORM | 1.000000 | < R > | .358437 | < R2 > | .149841 | < 1/R > | 4.128377 | < 1/R**2 > | 68.626937 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.359424 | .93825148 |
| 2 | 1s | 27.222789 | .04956062 |
| 3 | 2s | 21.796536 | .01671306 |
| 4 | 3s | 3.944791 | .00011023 |
| 5 | 4s | 64.351596 | -.00046057 |
| 6 | 5s | 80.254533 | .00013644 |
| 7 | 5s | 16.860062 | .00079824 |
| 8 | 3s | 106.466917 | -.00001986 |
| 9 | 4s | 1.545568 | -.00009700 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085208 | < R2 > | .009712 | < 1/R > | 17.673724 | < 1/R**2 > | 627.830100 |
Total Energy= -351.12046801 a.u.
Kinetic Energy= 351.12878314 a.u.
Potential Energy= -702.24925115 a.u.
Virial Ratio = -1.99997632