(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 1 S Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 1.187987 | .60747324 |
| 2 | 5p | 1.777024 | .72733738 |
| 3 | 4p | 4.864042 | -.21188566 |
| 4 | 2p | 9.155790 | .03444976 |
| 5 | 5p | 3.456251 | -.39921450 |
| 6 | 3p | 13.119704 | -.00204260 |
| 7 | 5p | 25.107753 | .00016292 |
| ORB.ENERGY,a.u. | -1.150100 | ||
| NORM | 1.000000 | < R > | 3.173455 | < R2 > | 10.880266 | < 1/R > | .348562 | < 1/R**2 > | .172659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.843256 | .36933311 |
| 2 | 3p | 2.794438 | -1.27934933 |
| 3 | 4p | 1.650274 | .79120176 |
| 4 | 5p | 1.979117 | -.42570378 |
| 5 | 4p | 28.649542 | -.00045487 |
| 6 | 3p | .594042 | -.19580354 |
| 7 | 3p | 15.597014 | -.00179725 |
| 8 | 4p | .724787 | .15989839 |
| 9 | 2p | 10.725774 | .09046290 |
| 10 | 5p | .586316 | .01369251 |
| 11 | 3p | 29.245331 | -.00022081 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.226496 | < R2 > | 1.832872 | < 1/R > | 1.124851 | < 1/R**2 > | 2.760749 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.190377 | -.21230646 |
| 2 | 1s | 12.930080 | .21911536 |
| 3 | 1s | 63.210142 | .00009759 |
| 4 | 2s | 5.741908 | -.37908186 |
| 5 | 3s | 2.732469 | 1.20658218 |
| 6 | 4s | 5.010264 | .12917971 |
| 7 | 3s | 38.819286 | -.00053370 |
| 8 | 5s | 3.146513 | -.21354950 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.238298 | < R2 > | 1.743114 | < 1/R > | 1.109186 | < 1/R**2 > | 7.277885 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.429690 | .43530980 |
| 2 | 3p | 8.305110 | .49325859 |
| 3 | 5p | 5.949836 | .01534028 |
| 4 | 4p | 6.975826 | .15795676 |
| 5 | 2p | 23.665716 | .00209624 |
| 6 | 5p | 41.601173 | -.00014920 |
| 7 | 3p | 3.242432 | .00204197 |
| 8 | 4p | 121.208739 | .00000182 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373912 | < R2 > | .172847 | < 1/R > | 3.460118 | < 1/R**2 > | 16.610268 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329515 | .39151832 |
| 2 | 2s | 7.641323 | -.82722384 |
| 3 | 3s | 7.017266 | -.29737660 |
| 4 | 4s | 25.955582 | .00359223 |
| 5 | 3s | 13.004149 | .01115927 |
| 6 | 4s | 6.257201 | -.03865136 |
| 7 | 5s | 5.120169 | -.00056291 |
| 8 | 4s | 36.188791 | .00060656 |
| 9 | 2s | 46.398425 | -.00010234 |
| 10 | 3s | .988310 | .00003146 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410096 | < R2 > | .198797 | < 1/R > | 3.572972 | < 1/R**2 > | 52.448275 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.585901 | 1.00956098 |
| 2 | 2s | 22.943403 | -.01619346 |
| 3 | 3s | 15.901541 | .01521202 |
| 4 | 4s | 32.639882 | -.00071727 |
| 5 | 4s | 11.951132 | .00373350 |
| 6 | 5s | 43.225944 | .00038379 |
| 7 | 5s | 14.120235 | -.00252375 |
| 8 | 2s | 31.084332 | -.00306901 |
| 9 | 2s | 64.041382 | .00012075 |
| 10 | 5s | 3.596217 | -.00000335 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086077 | < R2 > | .009952 | < 1/R > | 17.556778 | < 1/R**2 > | 621.319945 |
Total Energy= -520.18108691 a.u.
Kinetic Energy= 520.14283453 a.u.
Potential Energy= -1040.32392145 a.u.
Virial Ratio = -2.00007354