(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 3 P Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p | 2.576916 | -.12526817 |
| 2 | 4p | 1.495699 | 1.85773954 |
| 3 | 5p | 1.199779 | -1.92135822 |
| 4 | 3p | 2.548154 | -.40650368 |
| 5 | 2p | 12.081990 | .01017815 |
| 6 | 2p | 5.988835 | .07119299 |
| 7 | 4p | 16.583285 | .00103724 |
| ORB.ENERGY,a.u. | -.688680 | ||
| NORM | 1.000001 | < R > | 5.306605 | < R2 > | 31.378390 | < 1/R > | .235727 | < 1/R**2 > | .130741 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 7.112816 | .45015778 |
| 2 | 3p | 2.230700 | -.92458024 |
| 3 | 4p | 1.003183 | .42496687 |
| 4 | 5p | 2.435438 | .30007437 |
| 5 | 4p | 4.096770 | -.37816358 |
| 6 | 3p | 9.546899 | -.09456020 |
| 7 | 5p | 1.143055 | -.51025090 |
| 8 | 4p | 25.699415 | -.00082202 |
| 9 | 3p | 27.557254 | -.00043653 |
| 10 | 4p | .708369 | -.00778612 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.300660 | < R2 > | 2.149511 | < 1/R > | 1.065120 | < 1/R**2 > | 2.491167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.071097 | -.24895864 |
| 2 | 1s | 13.092735 | .20589296 |
| 3 | 1s | 75.093079 | .00005596 |
| 4 | 2s | 6.035202 | -.33584345 |
| 5 | 3s | 2.870315 | 1.11649630 |
| 6 | 4s | 4.868574 | .12892640 |
| 7 | 3s | 40.596733 | -.00052031 |
| 8 | 5s | 3.253465 | -.09549731 |
| 9 | 2s | .655814 | -.00038964 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.235399 | < R2 > | 1.734169 | < 1/R > | 1.111800 | < 1/R**2 > | 7.312180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.420990 | .43615393 |
| 2 | 3p | 8.300623 | .49293336 |
| 3 | 5p | 5.963381 | .01546857 |
| 4 | 4p | 6.975239 | .15757052 |
| 5 | 2p | 23.500456 | .00216241 |
| 6 | 5p | 42.063359 | -.00015080 |
| 7 | 3p | 2.883952 | .00146027 |
| 8 | 4p | 130.405972 | .00000148 |
| 9 | 5p | .823602 | -.00007193 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373751 | < R2 > | .172671 | < 1/R > | 3.461170 | < 1/R**2 > | 16.618744 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329568 | .39161690 |
| 2 | 2s | 7.642568 | -.82733236 |
| 3 | 3s | 7.015812 | -.29745793 |
| 4 | 4s | 26.029163 | .00365462 |
| 5 | 3s | 13.058271 | .01103636 |
| 6 | 4s | 6.257750 | -.03854366 |
| 7 | 5s | 4.193945 | -.00029063 |
| 8 | 4s | 36.780629 | .00056414 |
| 9 | 2s | 46.811390 | -.00009703 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409982 | < R2 > | .198674 | < 1/R > | 3.573913 | < 1/R**2 > | 52.473369 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586048 | 1.00955827 |
| 2 | 2s | 22.936746 | -.01618998 |
| 3 | 3s | 15.906446 | .01520694 |
| 4 | 4s | 32.630567 | -.00071724 |
| 5 | 4s | 11.946792 | .00373576 |
| 6 | 5s | 43.225474 | .00038395 |
| 7 | 5s | 14.122232 | -.00252351 |
| 8 | 2s | 31.092739 | -.00307061 |
| 9 | 2s | 64.074517 | .00012063 |
| 10 | 5s | 2.957627 | -.00000288 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086075 | < R2 > | .009952 | < 1/R > | 17.556972 | < 1/R**2 > | 621.330675 |
Total Energy= -519.67771940 a.u.
Kinetic Energy= 519.68170771 a.u.
Potential Energy= -1039.35942710 a.u.
Virial Ratio = -1.99999233