(1s 2 2s 2 2p 6 3s 2 3p 4 4d 1 ) 2 P Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 3d | .766723 | .98237478 |
| 2 | 4d | .524297 | -1.31426719 |
| 3 | 3d | 2.872085 | .26999875 |
| 4 | 4d | 5.211428 | -.04982605 |
| 5 | 5d | 4.046689 | -.09852436 |
| 6 | 5d | 1.216171 | -.19352204 |
| 7 | 3d | 10.809882 | .00050426 |
| ORB.ENERGY,a.u. | -.325270 | ||
| NORM | 1.000002 | < R > | 8.872360 | < R2 > | 93.381330 | < 1/R > | .176332 | < 1/R**2 > | .072498 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 5p | 47.880895 | -.00003963 |
| 2 | 5p | .747457 | -.00021384 |
| 3 | 2p | 3.876472 | .93178539 |
| 4 | 2p | 1.983320 | -1.18199672 |
| 5 | 3p | 4.608427 | -.45917809 |
| 6 | 2p | 10.489696 | .08130118 |
| 7 | 3p | 18.143835 | -.00190089 |
| 8 | 5p | 2.142672 | -.05207756 |
| 9 | 4p | 4.088714 | -.02169343 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.478099 | < R2 > | 2.547596 | < 1/R > | .907072 | < 1/R**2 > | 1.814088 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.437587 | .76681388 |
| 2 | 1s | 9.984188 | .18012848 |
| 3 | 2s | 5.339884 | -.72981369 |
| 4 | 3s | 2.824856 | .52575121 |
| 5 | 4s | 5.836659 | .06897201 |
| 6 | 2s | 10.535909 | -.16874130 |
| 7 | 2s | 18.374960 | -.00548370 |
| 8 | 5s | 1.899596 | -.02956221 |
| 9 | 4s | 30.512965 | .00056142 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.345220 | < R2 > | 2.078153 | < 1/R > | 1.015394 | < 1/R**2 > | 6.049541 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.898240 | .47256805 |
| 2 | 3p | 8.064351 | .47429172 |
| 3 | 4p | 6.704217 | .14355319 |
| 4 | 5p | 5.282664 | .00966110 |
| 5 | 2p | 20.009098 | .00691671 |
| 6 | 5p | 15.402215 | -.00705031 |
| 7 | 3p | 48.656434 | .00003736 |
| 8 | 3p | 2.199478 | .00154117 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375329 | < R2 > | .174400 | < 1/R > | 3.450553 | < 1/R**2 > | 16.531784 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489757 | .38362128 |
| 2 | 2s | 7.544860 | -.80325232 |
| 3 | 3s | 6.939271 | -.26218887 |
| 4 | 4s | 30.447055 | .00159434 |
| 5 | 3s | 17.946747 | .00716092 |
| 6 | 2s | 4.310988 | -.08028313 |
| 7 | 5s | 3.285698 | -.01148603 |
| 8 | 4s | 2.972953 | .01403759 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411768 | < R2 > | .200652 | < 1/R > | 3.559446 | < 1/R**2 > | 52.089347 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580850 | 1.00985961 |
| 2 | 2s | 22.410433 | -.01728701 |
| 3 | 3s | 14.920925 | .01754034 |
| 4 | 4s | 51.138709 | -.00050669 |
| 5 | 4s | 12.551753 | .00288817 |
| 6 | 5s | 60.165965 | .00012286 |
| 7 | 5s | 16.004857 | -.00409521 |
| 8 | 2s | 34.438315 | -.00228516 |
| 9 | 2s | 85.515487 | .00004379 |
| 10 | 5s | 3.791838 | -.00002708 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554087 | < 1/R**2 > | 621.172274 |
Total Energy= -525.46485959 a.u.
Kinetic Energy= 525.44364825 a.u.
Potential Energy= -1050.90850783 a.u.
Virial Ratio = -2.00004037