(1s 2 2s 2 2p 6 3s 1 4p 1 ) 3 P Ar 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 1.497872 | .39978522 |
| 2 | 2p | 8.646777 | .15897999 |
| 3 | 3p | 14.256728 | -.00577595 |
| 4 | 4p | 3.526526 | -.82567030 |
| 5 | 5p | 2.202844 | .99101349 |
| 6 | 5p | 6.204159 | -.12706613 |
| 7 | 4p | 17.998622 | .00111495 |
| ORB.ENERGY,a.u. | -1.964100 | ||
| NORM | 1.000000 | < R > | 2.568814 | < R2 > | 7.440647 | < 1/R > | .540811 | < 1/R**2 > | .866380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.593218 | -.04423730 |
| 2 | 1s | 4.736686 | .11338614 |
| 3 | 1s | 14.520710 | .13298605 |
| 4 | 2s | 6.587450 | -.59531025 |
| 5 | 3s | 3.116348 | .75739310 |
| 6 | 4s | 4.256359 | .40373293 |
| 7 | 5s | 7.632195 | -.04157659 |
| 8 | 4s | 28.359536 | .00159516 |
| 9 | 3s | 35.532612 | .00018672 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | 1.000000 | < R > | 1.171534 | < R2 > | 1.555001 | < 1/R > | 1.184632 | < 1/R**2 > | 8.404898 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.058922 | .45510528 |
| 2 | 3p | 8.341590 | .46910234 |
| 3 | 5p | 4.962020 | .00779794 |
| 4 | 4p | 6.906605 | .17436628 |
| 5 | 2p | 19.506969 | .00797153 |
| 6 | 5p | 15.106578 | -.00849840 |
| 7 | 3p | 55.655130 | .00003312 |
| 8 | 4p | 110.652011 | -.00000320 |
| 9 | 3p | 3.565006 | -.00571868 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .371845 | < R2 > | .170612 | < 1/R > | 3.474150 | < 1/R**2 > | 16.725787 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.401791 | .38919658 |
| 2 | 2s | 7.588284 | -.83195087 |
| 3 | 3s | 6.767396 | -.30100187 |
| 4 | 4s | 30.525655 | .00179651 |
| 5 | 3s | 17.013810 | .00904902 |
| 6 | 2s | 3.975863 | -.01840937 |
| 7 | 4s | 3.497596 | .00083540 |
| 8 | 5s | 80.150312 | .00001006 |
| 9 | 5s | 3.134563 | -.00015997 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .409355 | < R2 > | .197988 | < 1/R > | 3.578922 | < 1/R**2 > | 52.604045 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.587082 | 1.00955164 |
| 2 | 2s | 23.136813 | -.01669739 |
| 3 | 3s | 16.351012 | .01505969 |
| 4 | 4s | 28.716890 | -.00071736 |
| 5 | 4s | 11.739744 | .00447718 |
| 6 | 5s | 43.489624 | .00041632 |
| 7 | 5s | 13.422730 | -.00272007 |
| 8 | 2s | 28.639613 | -.00288614 |
| 9 | 2s | 72.373205 | .00005458 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086065 | < R2 > | .009949 | < 1/R > | 17.558460 | < 1/R**2 > | 621.416500 |
Total Energy= -513.15822932 a.u.
Kinetic Energy= 513.16578030 a.u.
Potential Energy= -1026.32400962 a.u.
Virial Ratio = -1.99998529