(1s 2 2s 2 2p 6 3s 2 3p 1 3d 1 ) 3 P Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 3d- electron | |
| 1 | 3d | 1.993768 | 1.14491141 |
| 2 | 4d | 2.230897 | -.30522471 |
| 3 | 3d | 3.895819 | .33183642 |
| 4 | 4d | 4.679079 | -.12196300 |
| 5 | 5d | 7.951876 | -.01803214 |
| 6 | 3d | 11.416063 | .00282676 |
| ORB.ENERGY,a.u. | -1.761300 | ||
| NORM | 1.000000 | < R > | 1.509470 | < R2 > | 2.693884 | < 1/R > | .808623 | < 1/R**2 > | .834558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.741575 | .35101277 |
| 2 | 2p | 1.506389 | -.42274923 |
| 3 | 3p | 2.793193 | -.71264050 |
| 4 | 2p | 10.799919 | .07734714 |
| 5 | 3p | 3.546795 | -.06584890 |
| 6 | 4p | 27.517953 | -.00084277 |
| 7 | 4p | 1.799548 | .12743018 |
| 8 | 5p | 63.327725 | -.00003998 |
| 9 | 2p | 85.851573 | .00000433 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.339389 | < R2 > | 2.067451 | < 1/R > | 1.003284 | < 1/R**2 > | 2.209691 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.359772 | -.22940939 |
| 2 | 1s | 13.067023 | .20295026 |
| 3 | 1s | 82.493060 | .00004168 |
| 4 | 2s | 5.984147 | -.33246378 |
| 5 | 3s | 2.791368 | 1.10311819 |
| 6 | 4s | 4.953930 | .12649337 |
| 7 | 3s | 40.742787 | -.00054785 |
| 8 | 5s | 3.305862 | -.09373245 |
| 9 | 4s | 1.914158 | .00112285 |
| 10 | 4s | 129.540852 | -.00000369 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.264325 | < R2 > | 1.820794 | < 1/R > | 1.083947 | < 1/R**2 > | 6.932017 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.429969 | .43543961 |
| 2 | 3p | 8.302360 | .49362672 |
| 3 | 5p | 5.881392 | .01590363 |
| 4 | 4p | 6.957521 | .15806397 |
| 5 | 2p | 23.653443 | .00208198 |
| 6 | 5p | 41.594400 | -.00016124 |
| 7 | 3p | 2.728268 | .00159405 |
| 8 | 4p | 133.721064 | .00000159 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .374104 | < R2 > | .173109 | < 1/R > | 3.459510 | < 1/R**2 > | 16.607960 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.423392 | .38761304 |
| 2 | 2s | 7.568548 | -.83430469 |
| 3 | 3s | 6.839238 | -.29785698 |
| 4 | 4s | 30.539872 | .00190273 |
| 5 | 3s | 16.938546 | .00856535 |
| 6 | 4s | 5.755101 | -.02066242 |
| 7 | 4s | 1.311485 | -.00079208 |
| 8 | 5s | 81.911367 | .00001420 |
| 9 | 5s | 1.515101 | .00072756 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410266 | < R2 > | .199015 | < 1/R > | 3.572008 | < 1/R**2 > | 52.425099 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586491 | 1.00955114 |
| 2 | 2s | 22.918043 | -.01618120 |
| 3 | 3s | 15.920421 | .01519281 |
| 4 | 4s | 32.621772 | -.00071703 |
| 5 | 4s | 11.935147 | .00374164 |
| 6 | 5s | 43.196284 | .00038453 |
| 7 | 5s | 14.129454 | -.00252272 |
| 8 | 2s | 31.114867 | -.00307466 |
| 9 | 2s | 64.170672 | .00012035 |
| 10 | 5s | 2.066897 | -.00000214 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086071 | < R2 > | .009951 | < 1/R > | 17.557551 | < 1/R**2 > | 621.363472 |
Total Energy= -520.77373340 a.u.
Kinetic Energy= 520.75712229 a.u.
Potential Energy= -1041.53085568 a.u.
Virial Ratio = -2.00003190