(1s 2 2s 2 2p 6 3s 1 5p 1 ) 1 P Ar 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 3p | 21.701625 | -.00046115 |
| 2 | 2p | 11.018244 | .03100990 |
| 3 | 2p | 5.942190 | .14995276 |
| 4 | 3p | 2.329597 | -1.20658968 |
| 5 | 4p | 1.749126 | 3.24501494 |
| 6 | 5p | 1.539071 | -2.79312844 |
| ORB.ENERGY,a.u. | -1.175400 | ||
| NORM | .999998 | < R > | 4.339556 | < R2 > | 21.191970 | < 1/R > | .331714 | < 1/R**2 > | .422834 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.503258 | -.05307260 |
| 2 | 1s | 4.653525 | .11709990 |
| 3 | 1s | 14.506419 | .13362227 |
| 4 | 2s | 6.571461 | -.59836164 |
| 5 | 3s | 3.185949 | .77002968 |
| 6 | 4s | 4.110663 | .39040624 |
| 7 | 5s | 7.818230 | -.03366751 |
| 8 | 4s | 28.232874 | .00157717 |
| 9 | 3s | 34.143216 | .00021244 |
| 10 | 2s | .396861 | .00025716 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | 1.000000 | < R > | 1.169724 | < R2 > | 1.548915 | < 1/R > | 1.185696 | < 1/R**2 > | 8.415497 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.055779 | .45564897 |
| 2 | 3p | 8.340533 | .46841591 |
| 3 | 5p | 5.201776 | .00762481 |
| 4 | 4p | 6.928762 | .17351064 |
| 5 | 2p | 19.464735 | .00802513 |
| 6 | 5p | 15.021932 | -.00854268 |
| 7 | 3p | 57.036549 | .00003152 |
| 8 | 4p | 112.315788 | -.00000353 |
| 9 | 3p | 3.823119 | -.00482593 |
| 10 | 4p | 1.414740 | .00003932 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .371664 | < R2 > | .170424 | < 1/R > | 3.475444 | < 1/R**2 > | 16.736552 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.407348 | .38908991 |
| 2 | 2s | 7.585379 | -.83179284 |
| 3 | 3s | 6.770974 | -.30080620 |
| 4 | 4s | 30.451989 | .00174288 |
| 5 | 3s | 17.226328 | .00876622 |
| 6 | 2s | 4.045106 | -.01780329 |
| 7 | 4s | 1.259664 | -.00118779 |
| 8 | 5s | 76.503160 | .00000830 |
| 9 | 5s | 1.444516 | .00104851 |
| 10 | 3s | 2.394977 | .00028895 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .409238 | < R2 > | .197870 | < 1/R > | 3.580000 | < 1/R**2 > | 52.633474 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.587272 | 1.00954891 |
| 2 | 2s | 23.129855 | -.01669373 |
| 3 | 3s | 16.353820 | .01505665 |
| 4 | 4s | 28.615659 | -.00071868 |
| 5 | 4s | 11.728780 | .00448536 |
| 6 | 5s | 43.461648 | .00041669 |
| 7 | 5s | 13.419273 | -.00272277 |
| 8 | 2s | 28.651492 | -.00288802 |
| 9 | 2s | 72.192729 | .00005491 |
| 10 | 3s | 2.776101 | -.00002419 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086063 | < R2 > | .009949 | < 1/R > | 17.558717 | < 1/R**2 > | 621.430952 |
Total Energy= -512.38661145 a.u.
Kinetic Energy= 512.37789501 a.u.
Potential Energy= -1024.76450645 a.u.
Virial Ratio = -2.00001701