(1s 2 2s 2 2p 6 3s 2 3p 1 4s 1 ) 1 P Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
| 1 | 1s | 12.502241 | .07924548 |
| 2 | 2s | 6.393207 | -.32878054 |
| 3 | 3s | 2.900854 | .54215873 |
| 4 | 4s | 1.428036 | -4.04805747 |
| 5 | 5s | 1.563461 | 2.25593319 |
| 6 | 2s | .983117 | .78260994 |
| 7 | 4s | 28.223759 | .00098527 |
| 8 | 3s | 9.805231 | .05072139 |
| 9 | 5s | 77.465815 | .00002759 |
| 10 | 3s | .723447 | -.01056523 |
| ORB.ENERGY,a.u. | -1.350300 | ||
| NORM | 1.000000 | < R > | 2.856169 | < R2 > | 9.068241 | < 1/R > | .461832 | < 1/R**2 > | 1.547155 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.904832 | .33623791 |
| 2 | 2p | 1.024485 | -.06594427 |
| 3 | 3p | 2.828580 | -1.05108341 |
| 4 | 2p | 10.879679 | .07709981 |
| 5 | 3p | 19.713803 | -.00144635 |
| 6 | 4p | 1.505855 | .03446226 |
| 7 | 5p | 44.343418 | -.00005741 |
| 8 | 5p | 1.298743 | .00793549 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.296793 | < R2 > | 1.929536 | < 1/R > | 1.035888 | < 1/R**2 > | 2.345962 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.666741 | 2.68487707 |
| 2 | 1s | 19.535072 | .02315539 |
| 3 | 2s | 6.576986 | -1.42155904 |
| 4 | 3s | 1.742518 | -.90864550 |
| 5 | 4s | 5.650549 | -.53421241 |
| 6 | 5s | 8.981312 | -.12112967 |
| 7 | 4s | 1.869588 | .39903333 |
| 8 | 3s | 60.868012 | -.00013456 |
| 9 | 4s | 97.542217 | .00004028 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.230933 | < R2 > | 1.720139 | < 1/R > | 1.115894 | < 1/R**2 > | 7.368524 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.425567 | .43561138 |
| 2 | 3p | 8.302600 | .49320079 |
| 3 | 5p | 5.939366 | .01549749 |
| 4 | 4p | 6.972475 | .15787727 |
| 5 | 2p | 23.601605 | .00212471 |
| 6 | 5p | 41.864022 | -.00014869 |
| 7 | 3p | 3.223184 | .00156210 |
| 8 | 4p | 123.978673 | .00000167 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373892 | < R2 > | .172819 | < 1/R > | 3.460173 | < 1/R**2 > | 16.610413 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.331052 | .39159901 |
| 2 | 2s | 7.642732 | -.82728230 |
| 3 | 3s | 7.019529 | -.29740334 |
| 4 | 4s | 25.940279 | .00370041 |
| 5 | 3s | 13.007454 | .01102799 |
| 6 | 4s | 6.255113 | -.03859908 |
| 7 | 5s | 4.511836 | -.00054710 |
| 8 | 4s | 36.633784 | .00060721 |
| 9 | 2s | 48.077677 | -.00008837 |
| 10 | 3s | 1.298563 | .00027986 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409961 | < R2 > | .198660 | < 1/R > | 3.574246 | < 1/R**2 > | 52.483811 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586093 | 1.00955669 |
| 2 | 2s | 22.932324 | -.01618756 |
| 3 | 3s | 15.907776 | .01520559 |
| 4 | 4s | 32.563631 | -.00071766 |
| 5 | 4s | 11.948127 | .00373589 |
| 6 | 5s | 43.227358 | .00038368 |
| 7 | 5s | 14.128486 | -.00252053 |
| 8 | 2s | 31.099600 | -.00307242 |
| 9 | 2s | 64.103197 | .00012049 |
| 10 | 5s | 4.060333 | -.00003219 |
| 11 | 3s | 1.440926 | .00004670 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086075 | < R2 > | .009952 | < 1/R > | 17.557040 | < 1/R**2 > | 621.333813 |
Total Energy= -520.35689626 a.u.
Kinetic Energy= 520.34033206 a.u.
Potential Energy= -1040.69722832 a.u.
Virial Ratio = -2.00003183