(1s 2 2s 2 2p 6 3s 2 3p 5 4s 1 ) 3 P Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 8.513037 | .05814247 |
| 2 | 2s | 7.027110 | -.15474457 |
| 3 | 3s | 2.949905 | .22698591 |
| 4 | 4s | .814397 | -.66755188 |
| 5 | 5s | 1.510875 | -.19878645 |
| 6 | 3s | .363223 | -.33367832 |
| 7 | 4s | 12.270212 | .03502851 |
| 8 | 5s | 15.530143 | -.00851565 |
| 9 | 5s | .440124 | .16364487 |
| 10 | 2s | 23.979244 | -.00125221 |
| ORB.ENERGY,a.u. | -.142660 | ||
| NORM | 1.000000 | < R > | 5.430124 | < R2 > | 33.767794 | < 1/R > | .229947 | < 1/R**2 > | .294098 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.205268 | .29404413 |
| 2 | 2p | 1.656463 | -.91902701 |
| 3 | 3p | 3.157154 | -.18120391 |
| 4 | 2p | 7.945294 | .18088972 |
| 5 | 3p | 9.763670 | -.05960083 |
| 6 | 4p | 27.757276 | -.00082904 |
| 7 | 4p | 1.310989 | -.02341347 |
| 8 | 5p | 58.365875 | -.00003990 |
| 9 | 3p | 46.959774 | -.00005848 |
| 10 | 3p | .190418 | -.00135165 |
| 11 | 5p | .277012 | .00122589 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.566816 | < R2 > | 2.899833 | < 1/R > | .860161 | < 1/R**2 > | 1.642148 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.755461 | 2.31364678 |
| 2 | 1s | 20.848040 | .01492725 |
| 3 | 2s | 6.705370 | -1.24002096 |
| 4 | 3s | 3.332016 | -.30519760 |
| 5 | 4s | 5.822325 | -.43105546 |
| 6 | 5s | 9.141876 | -.10679702 |
| 7 | 2s | .638653 | .00499191 |
| 8 | 3s | 48.306598 | -.00005321 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.382600 | < R2 > | 2.208054 | < 1/R > | .988460 | < 1/R**2 > | 5.724175 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.930049 | .47303244 |
| 2 | 3p | 8.056843 | .47300276 |
| 3 | 4p | 6.732465 | .14366642 |
| 4 | 5p | 5.297783 | .01115217 |
| 5 | 2p | 20.930803 | .00547083 |
| 6 | 5p | 15.942928 | -.00567071 |
| 7 | 3p | 44.060067 | .00005610 |
| 8 | 3p | 2.038994 | .00180726 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375621 | < R2 > | .174730 | < 1/R > | 3.448627 | < 1/R**2 > | 16.516023 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343634 | .38923806 |
| 2 | 2s | 7.634591 | -.82053147 |
| 3 | 3s | 6.808866 | -.29464690 |
| 4 | 4s | 30.821087 | .00337673 |
| 5 | 3s | 14.445231 | .01383416 |
| 6 | 2s | 4.007644 | -.04578788 |
| 7 | 5s | 2.977132 | -.00538862 |
| 8 | 5s | 41.330378 | -.00056678 |
| 9 | 2s | 108.255074 | -.00000267 |
| 10 | 4s | 2.695204 | .00612907 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412069 | < R2 > | .200990 | < 1/R > | 3.557022 | < 1/R**2 > | 52.025127 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580414 | 1.00987052 |
| 2 | 2s | 22.429493 | -.01729912 |
| 3 | 3s | 14.908652 | .01755683 |
| 4 | 4s | 51.038894 | -.00050577 |
| 5 | 4s | 12.556810 | .00288674 |
| 6 | 5s | 60.237263 | .00012320 |
| 7 | 5s | 15.992336 | -.00410149 |
| 8 | 2s | 34.416746 | -.00228301 |
| 9 | 2s | 84.947863 | .00004483 |
| 10 | 5s | 3.918928 | -.00003410 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553562 | < 1/R**2 > | 621.143446 |
Total Energy= -526.41505597 a.u.
Kinetic Energy= 526.41676420 a.u.
Potential Energy= -1052.83182017 a.u.
Virial Ratio = -1.99999675