(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 S Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 2.925033 | -.28156517 |
| 2 | 4p | 1.388118 | 2.02585767 |
| 3 | 5p | 1.176254 | -2.14859997 |
| 4 | 3p | 3.158588 | -.21550874 |
| 5 | 2p | 12.788462 | .00705268 |
| 6 | 2p | 5.984820 | .07045784 |
| 7 | 4p | 18.770945 | .00061100 |
| ORB.ENERGY,a.u. | -.662130 | ||
| NORM | .999999 | < R > | 5.500309 | < R2 > | 33.639996 | < 1/R > | .225140 | < 1/R**2 > | .113619 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 10.960613 | .07968029 |
| 2 | 2p | 5.885355 | .35278940 |
| 3 | 3p | 2.841686 | -1.12787913 |
| 4 | 4p | 1.394805 | .17387866 |
| 5 | 5p | 1.168463 | -.19507654 |
| 6 | 3p | 21.654228 | -.00176503 |
| 7 | 4p | 33.936423 | .00005110 |
| 8 | 2p | 51.529451 | -.00002010 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.287553 | < R2 > | 2.078035 | < 1/R > | 1.069831 | < 1/R**2 > | 2.507751 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.069173 | -.24903626 |
| 2 | 1s | 13.092436 | .20590008 |
| 3 | 1s | 74.834878 | .00005652 |
| 4 | 2s | 6.036749 | -.33578857 |
| 5 | 3s | 2.870318 | 1.11645112 |
| 6 | 4s | 4.868294 | .12891161 |
| 7 | 3s | 40.574557 | -.00052016 |
| 8 | 5s | 3.247972 | -.09561126 |
| 9 | 2s | .573507 | -.00029444 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.235237 | < R2 > | 1.733662 | < 1/R > | 1.111937 | < 1/R**2 > | 7.313965 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.422328 | .43607432 |
| 2 | 3p | 8.302198 | .49275826 |
| 3 | 5p | 5.964095 | .01533656 |
| 4 | 4p | 6.977651 | .15773654 |
| 5 | 2p | 23.576776 | .00213625 |
| 6 | 5p | 41.753848 | -.00014913 |
| 7 | 3p | 3.069309 | .00171717 |
| 8 | 4p | 124.440256 | .00000173 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373765 | < R2 > | .172688 | < 1/R > | 3.461089 | < 1/R**2 > | 16.618130 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329578 | .39161687 |
| 2 | 2s | 7.642574 | -.82733232 |
| 3 | 3s | 7.015852 | -.29745621 |
| 4 | 4s | 26.029469 | .00365485 |
| 5 | 3s | 13.059405 | .01103577 |
| 6 | 4s | 6.257427 | -.03854526 |
| 7 | 5s | 4.175868 | -.00029531 |
| 8 | 4s | 36.785738 | .00056380 |
| 9 | 2s | 46.814072 | -.00009696 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409982 | < R2 > | .198675 | < 1/R > | 3.573916 | < 1/R**2 > | 52.473464 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586048 | 1.00955837 |
| 2 | 2s | 22.936584 | -.01619012 |
| 3 | 3s | 15.906521 | .01520693 |
| 4 | 4s | 32.630300 | -.00071724 |
| 5 | 4s | 11.946699 | .00373583 |
| 6 | 5s | 43.225564 | .00038395 |
| 7 | 5s | 14.122248 | -.00252352 |
| 8 | 2s | 31.092881 | -.00307065 |
| 9 | 2s | 64.075018 | .00012062 |
| 10 | 5s | 2.979449 | -.00000298 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086075 | < R2 > | .009952 | < 1/R > | 17.556973 | < 1/R**2 > | 621.330765 |
Total Energy= -519.67628149 a.u.
Kinetic Energy= 519.65513978 a.u.
Potential Energy= -1039.33142128 a.u.
Virial Ratio = -2.00004068