(1s 2 2s 2 2p 6 3s 1 4p 1 ) 1 P Ar 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 1.460197 | .31724998 |
| 2 | 2p | 8.331348 | .18082739 |
| 3 | 3p | 11.651226 | -.01673039 |
| 4 | 4p | 3.482317 | -.81042202 |
| 5 | 5p | 2.176286 | 1.02915390 |
| 6 | 5p | 6.390141 | -.11379925 |
| 7 | 4p | 16.519057 | .00295192 |
| ORB.ENERGY,a.u. | -1.932100 | ||
| NORM | 1.000000 | < R > | 2.589864 | < R2 > | 7.605182 | < 1/R > | .546276 | < 1/R**2 > | .903880 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.884061 | -.06657969 |
| 2 | 1s | 4.163266 | .12592667 |
| 3 | 1s | 14.517488 | .13375261 |
| 4 | 2s | 6.524634 | -.60292533 |
| 5 | 3s | 3.146605 | .77884548 |
| 6 | 4s | 4.062792 | .38685294 |
| 7 | 5s | 7.843377 | -.02583746 |
| 8 | 4s | 29.679807 | .00153495 |
| 9 | 3s | 45.477430 | .00009794 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | 1.000000 | < R > | 1.175571 | < R2 > | 1.564379 | < 1/R > | 1.178778 | < 1/R**2 > | 8.316013 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.058167 | .45513974 |
| 2 | 3p | 8.343171 | .46926872 |
| 3 | 5p | 4.863447 | .00775789 |
| 4 | 4p | 6.899378 | .17460638 |
| 5 | 2p | 19.557028 | .00793592 |
| 6 | 5p | 15.152830 | -.00862405 |
| 7 | 3p | 52.597154 | .00003419 |
| 8 | 4p | 112.484076 | -.00000189 |
| 9 | 3p | 3.476382 | -.00595308 |
| 10 | 4p | 1.330733 | -.00005680 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .371850 | < R2 > | .170617 | < 1/R > | 3.474127 | < 1/R**2 > | 16.725640 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.383660 | .38984839 |
| 2 | 2s | 7.600815 | -.82327230 |
| 3 | 3s | 6.892194 | -.29261765 |
| 4 | 4s | 28.270229 | .00267574 |
| 5 | 3s | 15.904376 | .00693168 |
| 6 | 2s | 4.989436 | -.01749569 |
| 7 | 4s | 6.276268 | -.01817773 |
| 8 | 5s | 55.323932 | .00005899 |
| 9 | 5s | 4.562388 | -.00121966 |
| 10 | 2s | 43.001032 | -.00009428 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .409479 | < R2 > | .198136 | < 1/R > | 3.578067 | < 1/R**2 > | 52.582317 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586987 | 1.00955425 |
| 2 | 2s | 23.143036 | -.01670017 |
| 3 | 3s | 16.342818 | .01506729 |
| 4 | 4s | 28.657710 | -.00071829 |
| 5 | 4s | 11.729622 | .00448483 |
| 6 | 5s | 43.483706 | .00041661 |
| 7 | 5s | 13.420956 | -.00272207 |
| 8 | 2s | 28.631286 | -.00288480 |
| 9 | 2s | 71.988382 | .00005532 |
| 10 | 3s | 2.990727 | -.00004521 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086066 | < R2 > | .009949 | < 1/R > | 17.558341 | < 1/R**2 > | 621.410175 |
Total Energy= -513.15912950 a.u.
Kinetic Energy= 513.13411365 a.u.
Potential Energy= -1026.29324315 a.u.
Virial Ratio = -2.00004875