(1s 2 2s 2 2p 6 3s 2 3p 2 4d 1 ) 4 D Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 4d- electron | |
| 1 | 3d | 1.508497 | .50050731 |
| 2 | 4d | 1.299623 | -.77933629 |
| 3 | 3d | 2.830022 | .39301573 |
| 4 | 4d | 4.537112 | -.06675486 |
| 5 | 5d | 3.706471 | -.11335965 |
| 6 | 5d | 1.180200 | -.55090211 |
| 7 | 3d | 8.318332 | .00753801 |
| ORB.ENERGY,a.u. | -.813850 | ||
| NORM | 1.000000 | < R > | 4.235042 | < R2 > | 20.355937 | < 1/R > | .313547 | < 1/R**2 > | .182130 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.212392 | .47485450 |
| 2 | 2p | 2.167553 | -.85457419 |
| 3 | 3p | 2.776346 | -.39660875 |
| 4 | 2p | 10.435682 | .09175517 |
| 5 | 4p | 4.385466 | .06266683 |
| 6 | 3p | 17.513835 | -.00227181 |
| 7 | 4p | 35.895911 | -.00010522 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.345058 | < R2 > | 2.083405 | < 1/R > | .996761 | < 1/R**2 > | 2.175463 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.187049 | -.39940106 |
| 2 | 1s | 13.005292 | .20691203 |
| 3 | 1s | 69.373671 | .00007021 |
| 4 | 2s | 6.226660 | -.22840576 |
| 5 | 3s | 2.949096 | 1.05871607 |
| 6 | 4s | 5.144902 | .15642459 |
| 7 | 3s | 39.637317 | -.00051895 |
| 8 | 5s | 2.715553 | .03635332 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.272088 | < R2 > | 1.843772 | < 1/R > | 1.076569 | < 1/R**2 > | 6.834186 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.909995 | -.02127927 |
| 2 | 2p | 3.784970 | .06589155 |
| 3 | 2p | 15.936824 | .15452783 |
| 4 | 3p | 12.497684 | .42316652 |
| 5 | 4p | 9.798573 | .39687573 |
| 6 | 5p | 7.871442 | .12843988 |
| 7 | 5p | 17.664254 | -.00507296 |
| 8 | 3p | 44.765384 | .00005788 |
| 9 | 3p | 2.184321 | .01423540 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374446 | < R2 > | .173427 | < 1/R > | 3.456505 | < 1/R**2 > | 16.580764 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440387 | .38645713 |
| 2 | 2s | 7.560265 | -.82716003 |
| 3 | 3s | 6.829093 | -.28884280 |
| 4 | 4s | 30.434415 | .00179014 |
| 5 | 3s | 17.196871 | .00825197 |
| 6 | 2s | 2.736268 | -.05799698 |
| 7 | 4s | 3.692826 | .02921931 |
| 8 | 5s | 2.750158 | .00125131 |
| 9 | 5s | 72.633464 | .00001332 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410758 | < R2 > | .199534 | < 1/R > | 3.567658 | < 1/R**2 > | 52.307472 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572817 | 1.01064316 |
| 2 | 2s | 23.214583 | -.01614125 |
| 3 | 3s | 14.062466 | .01750563 |
| 4 | 4s | 35.478363 | -.00051504 |
| 5 | 4s | 11.845827 | .00190654 |
| 6 | 5s | 44.518029 | .00039359 |
| 7 | 5s | 15.702096 | -.00471960 |
| 8 | 2s | 30.300218 | -.00325190 |
| 9 | 2s | 68.230564 | .00008501 |
| 10 | 5s | 3.528536 | -.00001120 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086084 | < R2 > | .009954 | < 1/R > | 17.555879 | < 1/R**2 > | 621.270731 |
Total Energy= -522.32042157 a.u.
Kinetic Energy= 522.31871894 a.u.
Potential Energy= -1044.63914051 a.u.
Virial Ratio = -2.00000326