(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 3 S Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 5p- electron | |
| 1 | 3p | 1.367525 | -1.57104214 |
| 2 | 4p | 1.532334 | 2.91942723 |
| 3 | 5p | 1.167076 | -1.82102904 |
| 4 | 3p | 3.214989 | -.21988992 |
| 5 | 2p | 11.867574 | .01797212 |
| 6 | 2p | 5.822215 | .11492487 |
| 7 | 4p | 16.148724 | .00184799 |
| 8 | 2p | .648983 | .05972612 |
| ORB.ENERGY,a.u. | -.676130 | ||
| NORM | 1.000001 | < R > | 5.396806 | < R2 > | 32.584559 | < 1/R > | .254287 | < 1/R**2 > | .237824 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.461513 | .39223870 |
| 2 | 2p | 2.043880 | -.36246738 |
| 3 | 3p | 2.911039 | -.77738762 |
| 4 | 2p | 10.448331 | .09655323 |
| 5 | 3p | 17.880957 | -.00255853 |
| 6 | 4p | 1.786315 | .01144792 |
| 7 | 4p | 24.274856 | .00019157 |
| 8 | 5p | 42.782867 | -.00007190 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.289388 | < R2 > | 1.910508 | < 1/R > | 1.044856 | < 1/R**2 > | 2.390898 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.070760 | -.24898216 |
| 2 | 1s | 13.092862 | .20589541 |
| 3 | 1s | 75.117247 | .00005588 |
| 4 | 2s | 6.035289 | -.33584367 |
| 5 | 3s | 2.870368 | 1.11651064 |
| 6 | 4s | 4.868564 | .12893029 |
| 7 | 3s | 40.613194 | -.00052001 |
| 8 | 5s | 3.253353 | -.09550344 |
| 9 | 2s | .666323 | -.00037817 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.235378 | < R2 > | 1.734111 | < 1/R > | 1.111829 | < 1/R**2 > | 7.312677 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.423543 | .43601905 |
| 2 | 3p | 8.302076 | .49281363 |
| 3 | 5p | 5.936487 | .01533508 |
| 4 | 4p | 6.977720 | .15779921 |
| 5 | 2p | 23.581204 | .00211672 |
| 6 | 5p | 41.415453 | -.00015291 |
| 7 | 3p | 3.254143 | .00165037 |
| 8 | 3p | 83.612912 | .00000346 |
| 9 | 5p | .799812 | .00017030 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373776 | < R2 > | .172700 | < 1/R > | 3.461014 | < 1/R**2 > | 16.617544 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329532 | .39161717 |
| 2 | 2s | 7.642569 | -.82733278 |
| 3 | 3s | 7.015767 | -.29745933 |
| 4 | 4s | 26.029267 | .00365421 |
| 5 | 3s | 13.057709 | .01103663 |
| 6 | 4s | 6.257497 | -.03854522 |
| 7 | 5s | 4.195705 | -.00029009 |
| 8 | 4s | 36.773951 | .00056425 |
| 9 | 2s | 46.806178 | -.00009713 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409984 | < R2 > | .198676 | < 1/R > | 3.573902 | < 1/R**2 > | 52.473064 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586048 | 1.00955820 |
| 2 | 2s | 22.936799 | -.01618991 |
| 3 | 3s | 15.906464 | .01520693 |
| 4 | 4s | 32.631146 | -.00071724 |
| 5 | 4s | 11.946883 | .00373571 |
| 6 | 5s | 43.225614 | .00038394 |
| 7 | 5s | 14.122191 | -.00252352 |
| 8 | 2s | 31.092727 | -.00307061 |
| 9 | 2s | 64.074395 | .00012063 |
| 10 | 5s | 2.943693 | -.00000288 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086076 | < R2 > | .009952 | < 1/R > | 17.556970 | < 1/R**2 > | 621.330596 |
Total Energy= -519.67404281 a.u.
Kinetic Energy= 519.66912996 a.u.
Potential Energy= -1039.34317276 a.u.
Virial Ratio = -2.00000945