(1s 2 2s 2 2p 6 3s 2 3p 2 5s 1 ) 4 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 14.733454 | .03671544 |
| 2 | 2s | 5.137877 | -.19660961 |
| 3 | 3s | 3.125813 | .60978829 |
| 4 | 4s | 1.489073 | -1.92861228 |
| 5 | 5s | 1.085690 | 1.35803206 |
| 6 | 4s | 3.925078 | -.19066341 |
| 7 | 3s | 1.086784 | .86515659 |
| 8 | 5s | 20.255764 | -.00135458 |
| 9 | 3s | 11.122875 | -.00425007 |
| ORB.ENERGY,a.u. | -.748400 | ||
| NORM | .999999 | < R > | 5.598594 | < R2 > | 34.975235 | < 1/R > | .242824 | < 1/R**2 > | .548392 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.265759 | .46137916 |
| 2 | 2p | 2.142746 | -.83570355 |
| 3 | 3p | 2.757205 | -.37586692 |
| 4 | 2p | 10.464582 | .09074313 |
| 5 | 4p | 4.637738 | .03345459 |
| 6 | 3p | 17.881192 | -.00217524 |
| 7 | 5p | 1.437583 | .00264904 |
| 8 | 4p | 36.201051 | -.00008324 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.344775 | < R2 > | 2.082929 | < 1/R > | .997352 | < 1/R**2 > | 2.178643 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.707890 | 2.29793275 |
| 2 | 1s | 18.517776 | .02970565 |
| 3 | 2s | 6.526639 | -1.30454604 |
| 4 | 3s | 1.390958 | -.71969120 |
| 5 | 4s | 5.570321 | -.44060248 |
| 6 | 5s | 8.810928 | -.11515498 |
| 7 | 4s | 1.559402 | .49114150 |
| 8 | 3s | 61.798260 | -.00017805 |
| 9 | 4s | 96.508199 | .00006003 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.269295 | < R2 > | 1.835731 | < 1/R > | 1.079502 | < 1/R**2 > | 6.875817 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.942647 | -.02064959 |
| 2 | 2p | 3.789221 | .06608541 |
| 3 | 2p | 15.937236 | .15449449 |
| 4 | 3p | 12.497642 | .42311172 |
| 5 | 4p | 9.799157 | .39681858 |
| 6 | 5p | 7.873042 | .12840571 |
| 7 | 5p | 17.660783 | -.00509836 |
| 8 | 3p | 44.769111 | .00005797 |
| 9 | 3p | 2.202178 | .01351576 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374440 | < R2 > | .173414 | < 1/R > | 3.456442 | < 1/R**2 > | 16.579772 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440861 | .38649463 |
| 2 | 2s | 7.560197 | -.82716435 |
| 3 | 3s | 6.831575 | -.28880712 |
| 4 | 4s | 30.524554 | .00180323 |
| 5 | 3s | 17.162381 | .00826638 |
| 6 | 2s | 2.747556 | -.05778986 |
| 7 | 4s | 3.703447 | .02908673 |
| 8 | 5s | 2.727925 | .00115740 |
| 9 | 5s | 78.983794 | .00001074 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410688 | < R2 > | .199455 | < 1/R > | 3.568195 | < 1/R**2 > | 52.321796 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572760 | 1.01064372 |
| 2 | 2s | 23.216252 | -.01614182 |
| 3 | 3s | 14.061324 | .01750737 |
| 4 | 4s | 35.467977 | -.00051508 |
| 5 | 4s | 11.848071 | .00190608 |
| 6 | 5s | 44.524670 | .00039349 |
| 7 | 5s | 15.700925 | -.00471995 |
| 8 | 2s | 30.298848 | -.00325181 |
| 9 | 2s | 68.225241 | .00008501 |
| 10 | 5s | 2.932798 | -.00001271 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086084 | < R2 > | .009954 | < 1/R > | 17.555808 | < 1/R**2 > | 621.266380 |
Total Energy= -522.24848358 a.u.
Kinetic Energy= 522.25186871 a.u.
Potential Energy= -1044.50035229 a.u.
Virial Ratio = -1.99999352