(1s 2 2s 2 2p 6 3s 2 3p 4 5p 1 ) 2 P Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 4p | .880835 | .86640309 |
| 2 | 5p | .573392 | -1.28610724 |
| 3 | 3p | 2.833486 | -.10022660 |
| 4 | 2p | 11.397299 | .00571904 |
| 5 | 2p | 5.871641 | .03242355 |
| 6 | 5p | 2.386656 | -.08247432 |
| 7 | 3p | 26.220246 | -.00005782 |
| ORB.ENERGY,a.u. | -.329900 | ||
| NORM | 1.000002 | < R > | 10.220044 | < R2 > | 116.725266 | < 1/R > | .122896 | < 1/R**2 > | .036045 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.474059 | 1.77613425 |
| 2 | 2p | 2.600904 | -1.70836434 |
| 3 | 3p | 4.523895 | -.56562225 |
| 4 | 2p | 10.550423 | .07985842 |
| 5 | 3p | 19.147795 | -.00168209 |
| 6 | 4p | 2.229687 | -.32695921 |
| 7 | 5p | .576457 | -.03121988 |
| 8 | 3p | .465908 | .02276159 |
| 9 | 4p | 83.786232 | .00000437 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000001 | < R > | 1.470904 | < R2 > | 2.531885 | < 1/R > | .910881 | < 1/R**2 > | 1.826563 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.437717 | .76872696 |
| 2 | 1s | 9.980349 | .18059608 |
| 3 | 2s | 5.338387 | -.73222899 |
| 4 | 3s | 2.827132 | .52784478 |
| 5 | 4s | 5.849052 | .06884238 |
| 6 | 2s | 10.541973 | -.16919090 |
| 7 | 2s | 18.480660 | -.00535646 |
| 8 | 5s | 1.935254 | -.03336124 |
| 9 | 4s | 30.485941 | .00054982 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.342356 | < R2 > | 2.068185 | < 1/R > | 1.017427 | < 1/R**2 > | 6.073996 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.897027 | .47275984 |
| 2 | 3p | 8.062999 | .47420603 |
| 3 | 4p | 6.702967 | .14359185 |
| 4 | 5p | 5.264261 | .00963980 |
| 5 | 2p | 20.024277 | .00689637 |
| 6 | 5p | 15.416560 | -.00702473 |
| 7 | 3p | 48.438899 | .00003748 |
| 8 | 3p | 2.124214 | .00124666 |
| 9 | 4p | .306822 | -.00007338 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375299 | < R2 > | .174356 | < 1/R > | 3.450644 | < 1/R**2 > | 16.532190 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489345 | .38362251 |
| 2 | 2s | 7.544792 | -.80325765 |
| 3 | 3s | 6.938666 | -.26219861 |
| 4 | 4s | 30.402666 | .00159860 |
| 5 | 3s | 17.935994 | .00716024 |
| 6 | 2s | 4.311348 | -.08028285 |
| 7 | 5s | 3.286651 | -.01147779 |
| 8 | 4s | 2.972877 | .01403859 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411781 | < R2 > | .200665 | < 1/R > | 3.559321 | < 1/R**2 > | 52.085888 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580793 | 1.00986066 |
| 2 | 2s | 22.412810 | -.01728817 |
| 3 | 3s | 14.919479 | .01754229 |
| 4 | 4s | 51.123037 | -.00050659 |
| 5 | 4s | 12.554034 | .00288749 |
| 6 | 5s | 60.163509 | .00012276 |
| 7 | 5s | 16.004390 | -.00409522 |
| 8 | 2s | 34.435826 | -.00228482 |
| 9 | 2s | 85.510789 | .00004384 |
| 10 | 5s | 3.820482 | -.00002754 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086098 | < R2 > | .009958 | < 1/R > | 17.554014 | < 1/R**2 > | 621.168195 |
Total Energy= -525.45050566 a.u.
Kinetic Energy= 525.44263723 a.u.
Potential Energy= -1050.89314290 a.u.
Virial Ratio = -2.00001497