(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 1 P Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 1.133982 | .43416092 |
| 2 | 5p | 1.846074 | .81612741 |
| 3 | 4p | 3.295551 | -.61511552 |
| 4 | 2p | 8.557192 | .12773358 |
| 5 | 5p | 6.023212 | -.12512936 |
| 6 | 3p | 15.080041 | -.00406609 |
| 7 | 5p | 28.114177 | .00034649 |
| 8 | 4p | 48.781027 | .00002890 |
| 9 | 3p | .601508 | -.00134964 |
| ORB.ENERGY,a.u. | -1.207000 | ||
| NORM | 1.000000 | < R > | 3.020789 | < R2 > | 10.204454 | < 1/R > | .440678 | < 1/R**2 > | .562733 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.383195 | .35276710 |
| 2 | 3p | 2.752922 | -1.18114804 |
| 3 | 5p | 3.409154 | .10474838 |
| 4 | 4p | 6.165179 | -.03950526 |
| 5 | 3p | 19.263947 | -.00194853 |
| 6 | 2p | 10.462398 | .10021702 |
| 7 | 4p | 83.352144 | .00000542 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.290123 | < R2 > | 1.912330 | < 1/R > | 1.044122 | < 1/R**2 > | 2.388004 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.195317 | -.21212068 |
| 2 | 1s | 12.928690 | .21909748 |
| 3 | 1s | 63.062156 | .00009852 |
| 4 | 2s | 5.740711 | -.37912108 |
| 5 | 3s | 2.731679 | 1.20652990 |
| 6 | 4s | 5.012319 | .12918275 |
| 7 | 3s | 38.736377 | -.00053536 |
| 8 | 5s | 3.148683 | -.21336980 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.238827 | < R2 > | 1.744744 | < 1/R > | 1.108708 | < 1/R**2 > | 7.271514 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.427478 | .43556051 |
| 2 | 3p | 8.304769 | .49291885 |
| 3 | 5p | 5.933626 | .01502581 |
| 4 | 4p | 6.973620 | .15834717 |
| 5 | 2p | 23.904473 | .00203910 |
| 6 | 5p | 41.463679 | -.00011618 |
| 7 | 3p | 3.271315 | .00202199 |
| 8 | 3p | 60.187950 | .00000875 |
| 9 | 5p | 1.658603 | -.00019505 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373900 | < R2 > | .172831 | < 1/R > | 3.460161 | < 1/R**2 > | 16.610539 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329386 | .39151773 |
| 2 | 2s | 7.641212 | -.82721839 |
| 3 | 3s | 7.017503 | -.29737596 |
| 4 | 4s | 25.945407 | .00358923 |
| 5 | 3s | 12.996096 | .01116620 |
| 6 | 4s | 6.255972 | -.03867106 |
| 7 | 5s | 5.174304 | -.00055863 |
| 8 | 4s | 36.152951 | .00060872 |
| 9 | 2s | 46.265131 | -.00010367 |
| 10 | 3s | 1.009808 | .00003660 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410101 | < R2 > | .198803 | < 1/R > | 3.572920 | < 1/R**2 > | 52.446821 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.585891 | 1.00956120 |
| 2 | 2s | 22.943845 | -.01619372 |
| 3 | 3s | 15.901235 | .01521231 |
| 4 | 4s | 32.640922 | -.00071728 |
| 5 | 4s | 11.951447 | .00373331 |
| 6 | 5s | 43.225804 | .00038378 |
| 7 | 5s | 14.120119 | -.00252376 |
| 8 | 2s | 31.083787 | -.00306889 |
| 9 | 2s | 64.039389 | .00012076 |
| 10 | 5s | 3.644132 | -.00000323 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086077 | < R2 > | .009952 | < 1/R > | 17.556765 | < 1/R**2 > | 621.319256 |
Total Energy= -520.16608810 a.u.
Kinetic Energy= 520.19979435 a.u.
Potential Energy= -1040.36588245 a.u.
Virial Ratio = -1.99993521