(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 3 D Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 3p | 1.187541 | -2.02101165 |
| 2 | 4p | 1.504141 | 3.29257149 |
| 3 | 5p | 1.174718 | -1.57991503 |
| 4 | 3p | 2.967506 | -.28571378 |
| 5 | 2p | 12.059666 | .01674738 |
| 6 | 2p | 5.981894 | .11434782 |
| 7 | 4p | 16.524127 | .00173972 |
| 8 | 2p | .565812 | .01544813 |
| ORB.ENERGY,a.u. | -.686480 | ||
| NORM | .999999 | < R > | 5.330540 | < R2 > | 31.791403 | < 1/R > | .257958 | < 1/R**2 > | .245371 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.487812 | .39450508 |
| 2 | 2p | 2.118427 | -.35506818 |
| 3 | 3p | 2.876735 | -.78137656 |
| 4 | 2p | 10.514473 | .09363607 |
| 5 | 3p | 18.962509 | -.00200222 |
| 6 | 4p | 1.912462 | .00629908 |
| 7 | 4p | 104.199990 | .00001635 |
| 8 | 5p | 143.249952 | -.00000914 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.290893 | < R2 > | 1.914801 | < 1/R > | 1.043216 | < 1/R**2 > | 2.382776 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.071168 | -.24895780 |
| 2 | 1s | 13.092843 | .20588934 |
| 3 | 1s | 74.932595 | .00005623 |
| 4 | 2s | 6.034994 | -.33585046 |
| 5 | 3s | 2.870285 | 1.11653227 |
| 6 | 4s | 4.868884 | .12893718 |
| 7 | 3s | 40.607439 | -.00051907 |
| 8 | 5s | 3.254332 | -.09548560 |
| 9 | 2s | .700661 | -.00041623 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.235419 | < R2 > | 1.734235 | < 1/R > | 1.111788 | < 1/R**2 > | 7.312106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.422915 | .43604749 |
| 2 | 3p | 8.302041 | .49279495 |
| 3 | 5p | 5.945853 | .01539886 |
| 4 | 4p | 6.977986 | .15774745 |
| 5 | 2p | 23.597133 | .00212673 |
| 6 | 5p | 41.790594 | -.00014937 |
| 7 | 3p | 3.194437 | .00161368 |
| 8 | 4p | 123.651782 | .00000171 |
| 9 | 5p | .816111 | .00013488 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373769 | < R2 > | .172692 | < 1/R > | 3.461054 | < 1/R**2 > | 16.617842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329543 | .39161684 |
| 2 | 2s | 7.642564 | -.82733256 |
| 3 | 3s | 7.015772 | -.29745920 |
| 4 | 4s | 26.029329 | .00365423 |
| 5 | 3s | 13.057559 | .01103670 |
| 6 | 4s | 6.257569 | -.03854491 |
| 7 | 5s | 4.199815 | -.00028894 |
| 8 | 4s | 36.774016 | .00056430 |
| 9 | 2s | 46.807569 | -.00009711 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409983 | < R2 > | .198676 | < 1/R > | 3.573903 | < 1/R**2 > | 52.473096 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586048 | 1.00955819 |
| 2 | 2s | 22.936812 | -.01618990 |
| 3 | 3s | 15.906452 | .01520695 |
| 4 | 4s | 32.631127 | -.00071724 |
| 5 | 4s | 11.946888 | .00373571 |
| 6 | 5s | 43.225589 | .00038394 |
| 7 | 5s | 14.122199 | -.00252352 |
| 8 | 2s | 31.092691 | -.00307060 |
| 9 | 2s | 64.074921 | .00012062 |
| 10 | 5s | 2.941993 | -.00000286 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086076 | < R2 > | .009952 | < 1/R > | 17.556970 | < 1/R**2 > | 621.330578 |
Total Energy= -519.67407978 a.u.
Kinetic Energy= 519.67947109 a.u.
Potential Energy= -1039.35355087 a.u.
Virial Ratio = -1.99998963