(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 1 P Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 4d- electron | |
| 1 | 4d | 2.792567 | -.42432153 |
| 2 | 5d | 4.326863 | -.07450375 |
| 3 | 5d | 1.552165 | .44158791 |
| 4 | 3d | 8.160986 | .01414687 |
| 5 | 4d | 73.748723 | .00000124 |
| 6 | 3d | 1.435134 | 1.21748020 |
| 7 | 4d | 1.368412 | -2.42005674 |
| 8 | 3d | 2.408732 | .72833978 |
| ORB.ENERGY,a.u. | -.874830 | ||
| NORM | 1.000000 | < R > | 3.627901 | < R2 > | 15.230435 | < 1/R > | .385900 | < 1/R**2 > | .280696 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.644192 | .38963114 |
| 2 | 2p | 2.291989 | -.32641801 |
| 3 | 3p | 2.764503 | -.77424536 |
| 4 | 2p | 10.737355 | .08310419 |
| 5 | 3p | 19.683506 | -.00155375 |
| 6 | 4p | 3.346009 | -.02280543 |
| 7 | 5p | 41.847691 | -.00005699 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.304163 | < R2 > | 1.954032 | < 1/R > | 1.030998 | < 1/R**2 > | 2.327944 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.088195 | -.24666537 |
| 2 | 1s | 13.091978 | .20502668 |
| 3 | 1s | 74.846757 | .00005607 |
| 4 | 2s | 6.039722 | -.33398403 |
| 5 | 3s | 2.855290 | 1.11171286 |
| 6 | 4s | 4.904273 | .12798320 |
| 7 | 3s | 40.640943 | -.00051500 |
| 8 | 5s | 3.204347 | -.09498184 |
| 9 | 2s | 1.499895 | .00246541 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.239684 | < R2 > | 1.746527 | < 1/R > | 1.107307 | < 1/R**2 > | 7.248501 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.425505 | .43584363 |
| 2 | 3p | 8.302453 | .49307109 |
| 3 | 5p | 5.931514 | .01553107 |
| 4 | 4p | 6.970852 | .15786185 |
| 5 | 2p | 23.614390 | .00211112 |
| 6 | 5p | 41.763614 | -.00015404 |
| 7 | 3p | 2.995598 | .00165184 |
| 8 | 4p | 128.077027 | .00000162 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373875 | < R2 > | .172826 | < 1/R > | 3.460606 | < 1/R**2 > | 16.615213 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329671 | .39159413 |
| 2 | 2s | 7.642601 | -.82733097 |
| 3 | 3s | 7.015425 | -.29746605 |
| 4 | 4s | 26.096628 | .00364239 |
| 5 | 3s | 13.044266 | .01104176 |
| 6 | 4s | 6.240506 | -.03864607 |
| 7 | 5s | 4.139099 | -.00029477 |
| 8 | 4s | 36.681265 | .00056290 |
| 9 | 2s | 47.269314 | -.00009427 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410025 | < R2 > | .198730 | < 1/R > | 3.573696 | < 1/R**2 > | 52.468313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586276 | 1.00955460 |
| 2 | 2s | 22.926378 | -.01618538 |
| 3 | 3s | 15.913991 | .01519940 |
| 4 | 4s | 32.623424 | -.00071716 |
| 5 | 4s | 11.940084 | .00373924 |
| 6 | 5s | 43.219757 | .00038423 |
| 7 | 5s | 14.125837 | -.00252312 |
| 8 | 2s | 31.105263 | -.00307295 |
| 9 | 2s | 64.126177 | .00012044 |
| 10 | 5s | 2.428239 | -.00000274 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086073 | < R2 > | .009951 | < 1/R > | 17.557275 | < 1/R**2 > | 621.347686 |
Total Energy= -519.90692383 a.u.
Kinetic Energy= 519.86875523 a.u.
Potential Energy= -1039.77567906 a.u.
Virial Ratio = -2.00007342