(1s 2 2s 2 2p 6 3s 2 5p 1 ) 2 P Ar 5+
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 | 1.408167 | 3.95864614 |
| 2 | 5p | 1.411231 | -3.95214537 |
| 3 | 3p | 2.494044 | -.75074824 |
| 4 | 2p | 22.077182 | .00132136 |
| 5 | 2p | 6.624358 | .16802380 |
| 6 | 5p | 15.463893 | .00368057 |
| 7 | 3p | .914617 | -.07187467 |
| 8 | 4p | 11.857094 | -.02507011 |
| ORB.ENERGY,a.u. | -.918280 | ||
| NORM | .999998 | < R > | 4.771976 | < R2 > | 25.558552 | < 1/R > | .295897 | < 1/R**2 > | .332313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.236273 | -.42684421 |
| 2 | 1s | 13.250599 | .19301609 |
| 3 | 1s | 20.172708 | .00127709 |
| 4 | 2s | 6.523508 | -.31732895 |
| 5 | 3s | 3.073151 | 1.14791997 |
| 6 | 4s | 4.614490 | .22565531 |
| 7 | 5s | 37.783234 | .00037543 |
| 8 | 2s | 26.058462 | -.00080964 |
| 9 | 5s | 2.278683 | .00062291 |
| ORB.ENERGY,a.u. | -4.109000 | ||
| NORM | 1.000000 | < R > | 1.203571 | < R2 > | 1.642497 | < 1/R > | 1.144543 | < 1/R**2 > | 7.768132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.480908 | .43245012 |
| 2 | 3p | 8.326327 | .49902410 |
| 3 | 5p | 5.594920 | .00867914 |
| 4 | 4p | 6.895518 | .16258605 |
| 5 | 2p | 24.588145 | .00175904 |
| 6 | 5p | 39.279522 | -.00016246 |
| 7 | 4p | 103.358789 | .00000375 |
| ORB.ENERGY,a.u. | -12.934000 | ||
| NORM | 1.000000 | < R > | .372825 | < R2 > | .171666 | < 1/R > | 3.467427 | < 1/R**2 > | 16.669997 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.347877 | .39166758 |
| 2 | 2s | 7.615316 | -.83406292 |
| 3 | 3s | 6.785790 | -.30144557 |
| 4 | 4s | 29.519205 | .00339843 |
| 5 | 3s | 15.083889 | .01018460 |
| 6 | 2s | 3.638610 | -.02357256 |
| 7 | 4s | 3.606507 | .00642135 |
| 8 | 5s | 37.553626 | -.00046786 |
| 9 | 2s | 60.550665 | -.00001994 |
| 10 | 5s | 3.530399 | -.00185974 |
| ORB.ENERGY,a.u. | -15.566000 | ||
| NORM | 1.000000 | < R > | .409073 | < R2 > | .197681 | < 1/R > | 3.581396 | < 1/R**2 > | 52.672783 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586152 | 1.00962823 |
| 2 | 2s | 23.189328 | -.01668179 |
| 3 | 3s | 16.311924 | .01508368 |
| 4 | 4s | 26.306559 | -.00077604 |
| 5 | 4s | 12.474170 | .00420693 |
| 6 | 5s | 44.142899 | .00035453 |
| 7 | 5s | 14.355057 | -.00246176 |
| 8 | 2s | 28.280046 | -.00294852 |
| 9 | 2s | 71.510381 | .00005502 |
| 10 | 5s | 8.415906 | .00007808 |
| ORB.ENERGY,a.u. | -121.640000 |
| NORM | 1.000000 | < R > | .086064 | < R2 > | .009949 | < 1/R > | 17.558517 | < 1/R**2 > | 621.415959 |
Total Energy= -516.59921240 a.u.
Kinetic Energy= 516.59922453 a.u.
Potential Energy= -1033.19843693 a.u.
Virial Ratio = -1.99999998