(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 3 S Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 4p- electron | |
| 1 | 5p | 1.805656 | .82410416 |
| 2 | 4p | 3.253452 | -.54715922 |
| 3 | 2p | 8.511016 | .12469287 |
| 4 | 5p | 5.929734 | -.13262831 |
| 5 | 3p | 14.707068 | -.00394843 |
| 6 | 5p | 26.947473 | .00018973 |
| 7 | 2p | 1.068746 | .39229361 |
| 8 | 4p | .913557 | -.00587244 |
| ORB.ENERGY,a.u. | -1.164600 | ||
| NORM | 1.000000 | < R > | 3.092902 | < R2 > | 10.676072 | < 1/R > | .426647 | < 1/R**2 > | .523599 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.690249 | .57939233 |
| 2 | 2p | 3.459431 | -.31631963 |
| 3 | 3p | 2.928319 | -.93674123 |
| 4 | 2p | 10.180902 | .11842203 |
| 5 | 3p | 19.457130 | -.00191696 |
| 6 | 4p | 2.418761 | -.09127160 |
| 7 | 5p | 7.672770 | -.02752258 |
| 8 | 4p | 78.126745 | .00000629 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.285118 | < R2 > | 1.900477 | < 1/R > | 1.050588 | < 1/R**2 > | 2.420830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.191967 | -.21224547 |
| 2 | 1s | 12.929464 | .21910796 |
| 3 | 1s | 63.158338 | .00009802 |
| 4 | 2s | 5.741387 | -.37910029 |
| 5 | 3s | 2.732096 | 1.20656658 |
| 6 | 4s | 5.012106 | .12919286 |
| 7 | 3s | 38.763609 | -.00053520 |
| 8 | 5s | 3.147205 | -.21347000 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.238514 | < R2 > | 1.743783 | < 1/R > | 1.108997 | < 1/R**2 > | 7.275456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.426501 | .43540339 |
| 2 | 3p | 8.305619 | .49295550 |
| 3 | 5p | 5.940039 | .01487317 |
| 4 | 4p | 6.971017 | .15840916 |
| 5 | 2p | 23.486359 | .00216503 |
| 6 | 5p | 42.156775 | -.00014958 |
| 7 | 3p | 3.243561 | .00220624 |
| 8 | 4p | 130.161579 | .00000146 |
| 9 | 5p | 1.699173 | -.00029405 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373922 | < R2 > | .172857 | < 1/R > | 3.460038 | < 1/R**2 > | 16.609624 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329328 | .39152285 |
| 2 | 2s | 7.641284 | -.82722818 |
| 3 | 3s | 7.017177 | -.29738381 |
| 4 | 4s | 25.946345 | .00359180 |
| 5 | 3s | 12.999645 | .01115686 |
| 6 | 4s | 6.255994 | -.03865831 |
| 7 | 5s | 5.131462 | -.00054738 |
| 8 | 4s | 36.170474 | .00060771 |
| 9 | 2s | 46.283708 | -.00010343 |
| 10 | 3s | .985607 | .00003396 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410099 | < R2 > | .198800 | < 1/R > | 3.572944 | < 1/R**2 > | 52.447501 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.585897 | 1.00956095 |
| 2 | 2s | 22.943644 | -.01619343 |
| 3 | 3s | 15.901420 | .01521213 |
| 4 | 4s | 32.640859 | -.00071727 |
| 5 | 4s | 11.951367 | .00373336 |
| 6 | 5s | 43.225870 | .00038379 |
| 7 | 5s | 14.120170 | -.00252376 |
| 8 | 2s | 31.084107 | -.00306896 |
| 9 | 2s | 64.040979 | .00012076 |
| 10 | 5s | 3.597693 | -.00000326 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086077 | < R2 > | .009952 | < 1/R > | 17.556771 | < 1/R**2 > | 621.319571 |
Total Energy= -520.16686325 a.u.
Kinetic Energy= 520.15729003 a.u.
Potential Energy= -1040.32415328 a.u.
Virial Ratio = -2.00001840