(1s 2 2s 2 2p 6 3s 1 3p 1 ) 1 P Ar 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 11.122538 | .07312119 |
| 2 | 3p | 35.355002 | -.00015292 |
| 3 | 4p | 28.682834 | -.00073354 |
| 4 | 2p | 5.879122 | .39282601 |
| 5 | 2p | 2.368036 | -.21432161 |
| 6 | 3p | 2.851136 | -.89797520 |
| ORB.ENERGY,a.u. | -3.697600 | ||
| NORM | 1.000000 | < R > | 1.268357 | < R2 > | 1.849739 | < 1/R > | 1.067115 | < 1/R**2 > | 2.503959 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.454216 | -.08562903 |
| 2 | 1s | 4.075552 | .13019478 |
| 3 | 1s | 14.836094 | .12680703 |
| 4 | 2s | 6.414627 | -.58711888 |
| 5 | 3s | 2.897248 | .76324807 |
| 6 | 4s | 4.102122 | .34647253 |
| 7 | 5s | 20.596997 | -.00442502 |
| 8 | 4s | 4.942090 | .06751253 |
| 9 | 3s | 1.300255 | .03155995 |
| 10 | 2s | 1.079874 | -.03455886 |
| 11 | 3s | 63.871836 | -.00001175 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | 1.000000 | < R > | 1.201410 | < R2 > | 1.639884 | < 1/R > | 1.156414 | < 1/R**2 > | 8.065928 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.072216 | .45257368 |
| 2 | 3p | 8.348275 | .47199478 |
| 3 | 5p | 5.191804 | .00648899 |
| 4 | 4p | 6.925169 | .17505480 |
| 5 | 2p | 19.452705 | .00805696 |
| 6 | 5p | 15.118412 | -.00853509 |
| 7 | 3p | 36.501362 | .00008460 |
| 8 | 4p | 39.590926 | -.00007763 |
| 9 | 3p | 6.871182 | -.00423425 |
| 10 | 4p | 2.254577 | .00016808 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .372653 | < R2 > | .171503 | < 1/R > | 3.468845 | < 1/R**2 > | 16.682786 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.367833 | .38961285 |
| 2 | 2s | 7.596225 | -.83284739 |
| 3 | 3s | 6.752042 | -.30163414 |
| 4 | 4s | 29.483831 | .00236243 |
| 5 | 3s | 15.789540 | .00957552 |
| 6 | 2s | 3.574187 | -.02036670 |
| 7 | 4s | 1.407574 | -.00267944 |
| 8 | 5s | 1.612089 | .00240074 |
| 9 | 5s | 64.149696 | .00002574 |
| 10 | 2s | 52.153957 | -.00002846 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .410623 | < R2 > | .199465 | < 1/R > | 3.569550 | < 1/R**2 > | 52.361465 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586005 | 1.00957345 |
| 2 | 2s | 23.186939 | -.01672146 |
| 3 | 3s | 16.303611 | .01510323 |
| 4 | 4s | 28.989016 | -.00071452 |
| 5 | 4s | 11.724076 | .00448575 |
| 6 | 5s | 43.637801 | .00041666 |
| 7 | 5s | 13.444317 | -.00271495 |
| 8 | 2s | 28.556959 | -.00287049 |
| 9 | 2s | 72.214281 | .00005482 |
| 10 | 3s | 3.046901 | -.00015219 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086076 | < R2 > | .009952 | < 1/R > | 17.557058 | < 1/R**2 > | 621.339713 |
Total Energy= -515.14310100 a.u.
Kinetic Energy= 514.89827581 a.u.
Potential Energy= -1030.04137681 a.u.
Virial Ratio = -2.00047548