(1s 2 2s 2 2p 6 3s 2 3p 6 ) 1 D Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p- electron | |
| 1 | 2p | 6.046754 | .37563627 |
| 2 | 2p | 1.501793 | -.79826105 |
| 3 | 3p | 2.981200 | -.25378229 |
| 4 | 2p | 15.065875 | .01412403 |
| 5 | 4p | 10.094154 | -.04039024 |
| 6 | 4p | 1.342174 | -.05111836 |
| 7 | 5p | 46.348156 | -.00007212 |
| 8 | 2p | 67.444717 | .00000302 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.662959 | < R2 > | 3.310850 | < 1/R > | .814074 | < 1/R**2 > | 1.473630 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.532198 | -.10043683 |
| 2 | 1s | 13.758071 | .14841770 |
| 3 | 2s | 6.230417 | -.34234621 |
| 4 | 3s | 2.586072 | .80881410 |
| 5 | 4s | 4.653929 | .20280825 |
| 6 | 3s | 21.340049 | .00229353 |
| 7 | 5s | 2.248089 | .10825060 |
| 8 | 4s | 57.854763 | -.00016764 |
| 9 | 2s | 1.191001 | .01963048 |
| 10 | 5s | 77.404621 | .00006441 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.422172 | < R2 > | 2.350432 | < 1/R > | .961985 | < 1/R**2 > | 5.414414 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.924053 | .47377243 |
| 2 | 3p | 8.057204 | .47223863 |
| 3 | 4p | 6.745324 | .14330386 |
| 4 | 5p | 5.420502 | .01078230 |
| 5 | 2p | 20.946973 | .00548530 |
| 6 | 5p | 15.990161 | -.00576051 |
| 7 | 3p | 43.630129 | .00005834 |
| 8 | 3p | 2.791186 | .00125913 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375330 | < R2 > | .174342 | < 1/R > | 3.449989 | < 1/R**2 > | 16.525584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.342813 | .38908779 |
| 2 | 2s | 7.632900 | -.82048733 |
| 3 | 3s | 6.808429 | -.29458858 |
| 4 | 4s | 30.482521 | .00348842 |
| 5 | 3s | 14.319556 | .01390296 |
| 6 | 2s | 3.980130 | -.04620832 |
| 7 | 5s | 3.021458 | -.00511386 |
| 8 | 5s | 40.391069 | -.00057932 |
| 9 | 2s | 93.889579 | -.00000429 |
| 10 | 4s | 2.773256 | .00577183 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412280 | < R2 > | .201226 | < 1/R > | 3.555317 | < 1/R**2 > | 51.979682 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580172 | 1.00987504 |
| 2 | 2s | 22.442658 | -.01730445 |
| 3 | 3s | 14.901284 | .01756699 |
| 4 | 4s | 50.953159 | -.00050554 |
| 5 | 4s | 12.566352 | .00288435 |
| 6 | 5s | 60.201219 | .00012261 |
| 7 | 5s | 15.987673 | -.00410252 |
| 8 | 2s | 34.401012 | -.00228069 |
| 9 | 2s | 84.801621 | .00004519 |
| 10 | 5s | 3.972026 | -.00003967 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086104 | < R2 > | .009960 | < 1/R > | 17.553229 | < 1/R**2 > | 621.125511 |
Total Energy= -526.96052382 a.u.
Kinetic Energy= 526.81751755 a.u.
Potential Energy= -1053.77804137 a.u.
Virial Ratio = -2.00027145