(1s 2 2s 2 2p 6 3s 2 3p 3 4p 1 ) 5 P Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5141.
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 | 3p | .642274 | -.07209198 |
| 2 | 2p | .729060 | .65878538 |
| 3 | 5p | 1.390200 | .55450365 |
| 4 | 4p | 4.141019 | -.30061178 |
| 5 | 2p | 7.855975 | .10864102 |
| 6 | 5p | 3.065000 | -.28779873 |
| 7 | 3p | 10.772939 | -.01367196 |
| 8 | 4p | 34.602522 | -.00012751 |
| 9 | 5p | .470157 | .00127879 |
| ORB.ENERGY,a.u. | -.548360 | ||
| NORM | 1.000000 | < R > | 3.933840 | < R2 > | 17.306924 | < 1/R > | .326107 | < 1/R**2 > | .297263 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.322437 | .60236734 |
| 2 | 2p | 1.991940 | -1.36101333 |
| 3 | 3p | 10.026784 | -.08915526 |
| 4 | 4p | 5.498931 | .14084272 |
| 5 | 5p | 11.170760 | -.01928708 |
| 6 | 3p | 1.991881 | .12898733 |
| 7 | 4p | 60.138744 | -.00003808 |
| 8 | 5p | 1.603563 | -.00652019 |
| 9 | 5p | 40.852942 | -.00020684 |
| 10 | 4p | .587843 | -.00013323 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.401687 | < R2 > | 2.273782 | < 1/R > | .954768 | < 1/R**2 > | 1.997516 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.487684 | .56014740 |
| 2 | 1s | 14.088330 | .11761061 |
| 3 | 2s | 5.220808 | -.65058760 |
| 4 | 3s | 2.877982 | .68941160 |
| 5 | 4s | 5.591470 | .08738462 |
| 6 | 2s | 8.821338 | -.12500082 |
| 7 | 4s | 29.107755 | .00078426 |
| 8 | 2s | 25.600893 | -.00054540 |
| 9 | 5s | 2.035902 | -.02435159 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.307576 | < R2 > | 1.955128 | < 1/R > | 1.045668 | < 1/R**2 > | 6.431715 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 78.289579 | -.00000657 |
| 2 | 2p | 9.814210 | .46262159 |
| 3 | 3p | 8.143367 | .46788157 |
| 4 | 4p | 6.782795 | .15133077 |
| 5 | 5p | 5.499168 | .00956071 |
| 6 | 2p | 16.770231 | .01646697 |
| 7 | 5p | 14.375480 | -.00823956 |
| 8 | 4p | 51.398280 | .00004437 |
| 9 | 3p | 3.124338 | .00202354 |
| 10 | 3p | 26.043935 | -.00080828 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .374897 | < R2 > | .173892 | < 1/R > | 3.453166 | < 1/R**2 > | 16.552389 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.463522 | .38496544 |
| 2 | 2s | 7.567064 | -.81203521 |
| 3 | 3s | 6.888890 | -.27991796 |
| 4 | 4s | 30.710589 | .00159389 |
| 5 | 3s | 17.534925 | .00795635 |
| 6 | 2s | 3.934051 | -.05939711 |
| 7 | 5s | 3.220688 | -.02010853 |
| 8 | 4s | 2.881725 | .02554362 |
| 9 | 3s | 1.723011 | -.00034190 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411407 | < R2 > | .200245 | < 1/R > | 3.562315 | < 1/R**2 > | 52.165166 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581110 | 1.00986324 |
| 2 | 2s | 22.370268 | -.01729138 |
| 3 | 3s | 14.942624 | .01751179 |
| 4 | 4s | 51.721090 | -.00051330 |
| 5 | 4s | 12.533443 | .00290025 |
| 6 | 5s | 61.822539 | .00011574 |
| 7 | 5s | 15.999861 | -.00407431 |
| 8 | 2s | 34.511901 | -.00228532 |
| 9 | 2s | 86.905796 | .00004128 |
| 10 | 5s | 3.631170 | -.00001931 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086093 | < R2 > | .009957 | < 1/R > | 17.554608 | < 1/R**2 > | 621.200640 |
Total Energy= -524.40152340 a.u.
Kinetic Energy= 524.41339498 a.u.
Potential Energy= -1048.81491838 a.u.
Virial Ratio = -1.99997736