(1s 2 2s 2 2p 6 3s 2 3p 3 5p 1 ) 5 P Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5151.
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 | 4p | 1.166067 | 1.04803140 |
| 2 | 5p | .810444 | -1.40471688 |
| 3 | 3p | 2.858271 | -.24745609 |
| 4 | 2p | 11.144531 | .01422404 |
| 5 | 2p | 5.882522 | .07227528 |
| 6 | 5p | 2.546856 | -.07774801 |
| 7 | 4p | 33.374523 | -.00010787 |
| ORB.ENERGY,a.u. | -.296110 | ||
| NORM | 1.000000 | < R > | 7.386326 | < R2 > | 61.061326 | < 1/R > | .181246 | < 1/R**2 > | .117531 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.270802 | .61755196 |
| 2 | 2p | 1.991744 | -1.38721094 |
| 3 | 3p | 10.100715 | -.09067388 |
| 4 | 4p | 5.392683 | .14071022 |
| 5 | 5p | 11.239244 | -.02341630 |
| 6 | 3p | 2.020862 | .14392841 |
| 7 | 4p | 36.703655 | -.00016284 |
| 8 | 5p | .729144 | .00047859 |
| 9 | 5p | 127.550463 | -.00000215 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.397533 | < R2 > | 2.257169 | < 1/R > | .956858 | < 1/R**2 > | 2.004834 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.490692 | .56008513 |
| 2 | 1s | 14.090716 | .11776145 |
| 3 | 2s | 5.222059 | -.65149691 |
| 4 | 3s | 2.881378 | .69055312 |
| 5 | 4s | 5.583764 | .08735677 |
| 6 | 2s | 8.815835 | -.12537180 |
| 7 | 4s | 29.162927 | .00078606 |
| 8 | 2s | 25.534088 | -.00054735 |
| 9 | 5s | 2.007230 | -.02565338 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.305380 | < R2 > | 1.947755 | < 1/R > | 1.047366 | < 1/R**2 > | 6.452790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.811830 | .46372990 |
| 2 | 3p | 8.132729 | .46803156 |
| 3 | 4p | 6.744911 | .15211912 |
| 4 | 5p | 5.205005 | .00874079 |
| 5 | 2p | 16.555558 | .01661396 |
| 6 | 5p | 14.584724 | -.00786482 |
| 7 | 4p | 60.016985 | .00002674 |
| 8 | 3p | 2.206343 | .00041712 |
| 9 | 3p | 23.024908 | -.00109221 |
| 10 | 2p | 117.283267 | -.00000102 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .374844 | < R2 > | .173835 | < 1/R > | 3.453522 | < 1/R**2 > | 16.555305 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.463656 | .38500480 |
| 2 | 2s | 7.567087 | -.81205242 |
| 3 | 3s | 6.889455 | -.27992190 |
| 4 | 4s | 30.681776 | .00160276 |
| 5 | 3s | 17.550835 | .00791052 |
| 6 | 2s | 3.940274 | -.05929934 |
| 7 | 5s | 3.231890 | -.02002720 |
| 8 | 4s | 2.891091 | .02543533 |
| 9 | 3s | 1.612850 | -.00034934 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411355 | < R2 > | .200189 | < 1/R > | 3.562738 | < 1/R**2 > | 52.176437 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581174 | 1.00986222 |
| 2 | 2s | 22.367162 | -.01729026 |
| 3 | 3s | 14.944378 | .01750940 |
| 4 | 4s | 51.740551 | -.00051338 |
| 5 | 4s | 12.530268 | .00290123 |
| 6 | 5s | 61.825269 | .00011587 |
| 7 | 5s | 16.000477 | -.00407431 |
| 8 | 2s | 34.515200 | -.00228579 |
| 9 | 2s | 86.925268 | .00004121 |
| 10 | 5s | 3.566842 | -.00001890 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086093 | < R2 > | .009957 | < 1/R > | 17.554694 | < 1/R**2 > | 621.205439 |
Total Energy= -524.15721882 a.u.
Kinetic Energy= 524.16125130 a.u.
Potential Energy= -1048.31847012 a.u.
Virial Ratio = -1.99999231