(1s 2 2s 2 2p 6 3s 2 3p 3 ) 4 S Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 10.405264 | .08619308 |
| 2 | 4p | 6.910687 | -.02478128 |
| 3 | 5p | 39.351805 | -.00008122 |
| 4 | 2p | 26.278709 | .00041916 |
| 5 | 2p | 5.062905 | .47076801 |
| 6 | 2p | 2.045873 | -.93641731 |
| 7 | 3p | 2.580647 | -.23968849 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.395757 | < R2 > | 2.250548 | < 1/R > | .957828 | < 1/R**2 > | 2.008246 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.346789 | -.49867835 |
| 2 | 1s | 13.452421 | .18340219 |
| 3 | 2s | 6.449472 | -.21552033 |
| 4 | 3s | 2.957044 | 1.13357213 |
| 5 | 4s | 5.181362 | .18182040 |
| 6 | 3s | 19.919856 | .00323554 |
| 7 | 5s | 2.752251 | .09405692 |
| 8 | 4s | 57.904214 | -.00006866 |
| 9 | 5s | 164.892346 | -.00000275 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.303995 | < R2 > | 1.943197 | < 1/R > | 1.048460 | < 1/R**2 > | 6.466381 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.800610 | -.01890298 |
| 2 | 2p | 3.789170 | .06653384 |
| 3 | 2p | 15.939444 | .15424298 |
| 4 | 3p | 12.497908 | .42250411 |
| 5 | 4p | 9.800380 | .39631657 |
| 6 | 5p | 7.876780 | .12812665 |
| 7 | 5p | 17.643078 | -.00520698 |
| 8 | 3p | 44.280902 | .00006032 |
| 9 | 3p | 2.069130 | .01309785 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374809 | < R2 > | .173798 | < 1/R > | 3.453763 | < 1/R**2 > | 16.557276 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.442279 | .38588877 |
| 2 | 2s | 7.555640 | -.82692528 |
| 3 | 3s | 6.822716 | -.28879273 |
| 4 | 4s | 30.303944 | .00198386 |
| 5 | 3s | 16.822634 | .00836220 |
| 6 | 2s | 2.679984 | -.05963406 |
| 7 | 4s | 3.633649 | .03004005 |
| 8 | 5s | 2.719101 | .00135264 |
| 9 | 4s | 58.226323 | .00003338 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .411320 | < R2 > | .200152 | < 1/R > | 3.563024 | < 1/R**2 > | 52.184048 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572008 | 1.01065544 |
| 2 | 2s | 23.261379 | -.01616048 |
| 3 | 3s | 14.045730 | .01753610 |
| 4 | 4s | 36.033488 | -.00051789 |
| 5 | 4s | 11.877820 | .00190636 |
| 6 | 5s | 45.074088 | .00038818 |
| 7 | 5s | 15.678391 | -.00472287 |
| 8 | 2s | 30.198108 | -.00323523 |
| 9 | 2s | 68.633371 | .00008210 |
| 10 | 5s | 4.215921 | -.00002298 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086092 | < R2 > | .009956 | < 1/R > | 17.554753 | < 1/R**2 > | 621.208670 |
Total Energy= -523.86522727 a.u.
Kinetic Energy= 523.86521208 a.u.
Potential Energy= -1047.73043935 a.u.
Virial Ratio = -2.00000003