(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 2 S Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 1.037453 | .67243382 |
| 2 | 5p | 1.624745 | .63196290 |
| 3 | 4p | 4.307111 | -.40650638 |
| 4 | 2p | 8.096525 | .12839940 |
| 5 | 5p | 3.270638 | -.42746525 |
| 6 | 3p | 11.060459 | -.01407891 |
| 7 | 4p | 34.669386 | -.00015976 |
| 8 | 3p | .572172 | -.00119306 |
| ORB.ENERGY,a.u. | -1.081000 | ||
| NORM | 1.000000 | < R > | 3.335044 | < R2 > | 12.461094 | < 1/R > | .396814 | < 1/R**2 > | .458118 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.185051 | .48653798 |
| 2 | 2p | 2.107592 | -.89329987 |
| 3 | 3p | 2.979181 | -.41153501 |
| 4 | 2p | 10.553468 | .08760400 |
| 5 | 4p | 4.317627 | .11209387 |
| 6 | 3p | 19.361016 | -.00179454 |
| 7 | 5p | 1.269001 | -.00173382 |
| 8 | 3p | 53.323477 | .00001023 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.349542 | < R2 > | 2.100500 | < 1/R > | .994492 | < 1/R**2 > | 2.167962 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.203673 | -.39815737 |
| 2 | 1s | 12.999867 | .20729629 |
| 3 | 1s | 66.910554 | .00007818 |
| 4 | 2s | 6.213606 | -.22916585 |
| 5 | 3s | 2.950038 | 1.06177684 |
| 6 | 4s | 5.144024 | .15382590 |
| 7 | 3s | 39.351266 | -.00051408 |
| 8 | 5s | 2.605228 | .03503022 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.272332 | < R2 > | 1.845243 | < 1/R > | 1.076794 | < 1/R**2 > | 6.840028 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.846163 | -.02137692 |
| 2 | 2p | 3.801160 | .06594168 |
| 3 | 2p | 15.938036 | .15442779 |
| 4 | 3p | 12.497558 | .42294184 |
| 5 | 4p | 9.800024 | .39669054 |
| 6 | 5p | 7.871728 | .12835061 |
| 7 | 5p | 17.621815 | -.00518252 |
| 8 | 3p | 44.246894 | .00005995 |
| 9 | 3p | 2.143400 | .01497703 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374521 | < R2 > | .173500 | < 1/R > | 3.455897 | < 1/R**2 > | 16.575351 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.441009 | .38636144 |
| 2 | 2s | 7.559283 | -.82709670 |
| 3 | 3s | 6.829320 | -.28882260 |
| 4 | 4s | 30.505783 | .00183325 |
| 5 | 3s | 17.091562 | .00830059 |
| 6 | 2s | 2.733757 | -.05816386 |
| 7 | 4s | 3.684016 | .02933257 |
| 8 | 5s | 2.696581 | .00123965 |
| 9 | 5s | 79.061842 | .00001283 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410826 | < R2 > | .199601 | < 1/R > | 3.567016 | < 1/R**2 > | 52.289904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572575 | 1.01064734 |
| 2 | 2s | 23.225839 | -.01614655 |
| 3 | 3s | 14.055222 | .01751661 |
| 4 | 4s | 35.503414 | -.00051526 |
| 5 | 4s | 11.869223 | .00190043 |
| 6 | 5s | 44.515187 | .00039307 |
| 7 | 5s | 15.697619 | -.00472062 |
| 8 | 2s | 30.285018 | -.00324943 |
| 9 | 2s | 68.141985 | .00008522 |
| 10 | 5s | 3.590784 | -.00001172 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086086 | < R2 > | .009955 | < 1/R > | 17.555558 | < 1/R**2 > | 621.252831 |
Total Energy= -522.54305620 a.u.
Kinetic Energy= 522.58511531 a.u.
Potential Energy= -1045.12817151 a.u.
Virial Ratio = -1.99991952