(1s 2 2s 2 2p 6 3s 2 3p 2 4s 1 ) 2 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 11.523664 | .07629562 |
| 2 | 2s | 7.482944 | -.19137909 |
| 3 | 3s | 2.958032 | .49923749 |
| 4 | 4s | 1.397832 | -.61370128 |
| 5 | 5s | 1.912288 | -.55698933 |
| 6 | 4s | 21.389323 | .00055321 |
| 7 | 5s | 9.388754 | -.04193620 |
| 8 | 2s | 20.770856 | -.00218624 |
| 9 | 2s | .914643 | .07309575 |
| ORB.ENERGY,a.u. | -1.186300 | ||
| NORM | 1.000000 | < R > | 3.160667 | < R2 > | 11.090133 | < 1/R > | .407949 | < 1/R**2 > | 1.144487 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 10.555895 | .08636563 |
| 2 | 4p | 4.512320 | .07374646 |
| 3 | 3p | 18.099196 | -.00203750 |
| 4 | 5p | 1.622818 | .00146005 |
| 5 | 5p | 48.482443 | -.00005251 |
| 6 | 2p | 5.281029 | .47294293 |
| 7 | 2p | 2.162639 | -.85810241 |
| 8 | 3p | 2.780600 | -.39666714 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.346920 | < R2 > | 2.088324 | < 1/R > | .994825 | < 1/R**2 > | 2.166534 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.602097 | 2.62169558 |
| 2 | 1s | 18.983755 | .02677469 |
| 3 | 2s | 6.501410 | -1.36175305 |
| 4 | 3s | 1.801691 | -.80342713 |
| 5 | 4s | 5.461500 | -.49405462 |
| 6 | 5s | 8.791917 | -.13037099 |
| 7 | 4s | 1.961717 | .27724970 |
| 8 | 3s | 61.807901 | -.00013587 |
| 9 | 4s | 98.405081 | .00004219 |
| 10 | 5s | .718578 | -.00014277 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000001 | < R > | 1.263089 | < R2 > | 1.814778 | < 1/R > | 1.084293 | < 1/R**2 > | 6.936417 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.886585 | -.02048079 |
| 2 | 2p | 3.791007 | .06612700 |
| 3 | 2p | 15.937623 | .15443146 |
| 4 | 3p | 12.497571 | .42295642 |
| 5 | 4p | 9.799650 | .39668821 |
| 6 | 5p | 7.871991 | .12833485 |
| 7 | 5p | 17.645625 | -.00513912 |
| 8 | 3p | 44.686077 | .00005834 |
| 9 | 3p | 2.159941 | .01379273 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374541 | < R2 > | .173521 | < 1/R > | 3.455753 | < 1/R**2 > | 16.574073 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440783 | .38647904 |
| 2 | 2s | 7.560435 | -.82711717 |
| 3 | 3s | 6.833833 | -.28875374 |
| 4 | 4s | 30.562835 | .00180919 |
| 5 | 3s | 17.130962 | .00829757 |
| 6 | 2s | 2.731750 | -.05817026 |
| 7 | 4s | 3.664342 | .02961203 |
| 8 | 5s | 2.310915 | .00107621 |
| 9 | 5s | 80.137951 | .00001114 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410723 | < R2 > | .199497 | < 1/R > | 3.567985 | < 1/R**2 > | 52.316930 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572686 | 1.01064702 |
| 2 | 2s | 23.203745 | -.01614619 |
| 3 | 3s | 14.062062 | .01750245 |
| 4 | 4s | 35.728506 | -.00051496 |
| 5 | 4s | 11.852921 | .00189714 |
| 6 | 5s | 44.655413 | .00039290 |
| 7 | 5s | 15.700887 | -.00470206 |
| 8 | 2s | 30.342259 | -.00325161 |
| 9 | 2s | 68.357578 | .00008469 |
| 10 | 5s | 3.769379 | -.00004049 |
| 11 | 3s | 1.305806 | .00004978 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086085 | < R2 > | .009954 | < 1/R > | 17.555758 | < 1/R**2 > | 621.263345 |
Total Energy= -522.70656550 a.u.
Kinetic Energy= 522.68838822 a.u.
Potential Energy= -1045.39495372 a.u.
Virial Ratio = -2.00003478