(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 4 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 2p | .992048 | .63041023 |
| 2 | 5p | 1.581922 | .64181318 |
| 3 | 4p | 4.261132 | -.38880402 |
| 4 | 2p | 8.039458 | .12446388 |
| 5 | 5p | 3.202947 | -.38167217 |
| 6 | 3p | 10.988316 | -.01414501 |
| 7 | 4p | 34.822050 | -.00014989 |
| 8 | 3p | .678494 | -.00389868 |
| ORB.ENERGY,a.u. | -1.044500 | ||
| NORM | 1.000000 | < R > | 3.431837 | < R2 > | 13.165160 | < 1/R > | .381519 | < 1/R**2 > | .418585 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.194171 | .46894763 |
| 2 | 2p | 2.048020 | -.76839867 |
| 3 | 3p | 3.064456 | -.55575654 |
| 4 | 2p | 10.560106 | .08775021 |
| 5 | 4p | 4.305906 | .14166999 |
| 6 | 3p | 19.321361 | -.00183442 |
| 7 | 5p | 1.310610 | -.00228452 |
| 8 | 4p | 78.824272 | .00000562 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.346030 | < R2 > | 2.090911 | < 1/R > | .998135 | < 1/R**2 > | 2.185247 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.203688 | -.39825914 |
| 2 | 1s | 12.998553 | .20738519 |
| 3 | 1s | 67.131640 | .00007775 |
| 4 | 2s | 6.215668 | -.22919450 |
| 5 | 3s | 2.950462 | 1.06208746 |
| 6 | 4s | 5.142007 | .15367160 |
| 7 | 3s | 39.304903 | -.00051835 |
| 8 | 5s | 2.609760 | .03469075 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.272002 | < R2 > | 1.844175 | < 1/R > | 1.077069 | < 1/R**2 > | 6.843595 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.781485 | -.02216952 |
| 2 | 2p | 3.795245 | .06568406 |
| 3 | 2p | 15.937750 | .15443795 |
| 4 | 3p | 12.497447 | .42298758 |
| 5 | 4p | 9.799532 | .39666196 |
| 6 | 5p | 7.872978 | .12835505 |
| 7 | 5p | 17.648769 | -.00513984 |
| 8 | 3p | 44.504979 | .00005902 |
| 9 | 3p | 2.094442 | .01605752 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374541 | < R2 > | .173526 | < 1/R > | 3.455785 | < 1/R**2 > | 16.574518 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440981 | .38636444 |
| 2 | 2s | 7.559310 | -.82709976 |
| 3 | 3s | 6.829360 | -.28882033 |
| 4 | 4s | 30.505454 | .00183280 |
| 5 | 3s | 17.092395 | .00830071 |
| 6 | 2s | 2.733830 | -.05816228 |
| 7 | 4s | 3.683832 | .02933649 |
| 8 | 5s | 2.695748 | .00122914 |
| 9 | 5s | 79.008114 | .00001281 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410824 | < R2 > | .199600 | < 1/R > | 3.567033 | < 1/R**2 > | 52.290370 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572579 | 1.01064728 |
| 2 | 2s | 23.225653 | -.01614647 |
| 3 | 3s | 14.055343 | .01751644 |
| 4 | 4s | 35.503035 | -.00051526 |
| 5 | 4s | 11.868985 | .00190048 |
| 6 | 5s | 44.515247 | .00039307 |
| 7 | 5s | 15.697700 | -.00472060 |
| 8 | 2s | 30.285278 | -.00324948 |
| 9 | 2s | 68.144091 | .00008522 |
| 10 | 5s | 3.582147 | -.00001174 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086086 | < R2 > | .009955 | < 1/R > | 17.555563 | < 1/R**2 > | 621.253132 |
Total Energy= -522.54480774 a.u.
Kinetic Energy= 522.54867196 a.u.
Potential Energy= -1045.09347970 a.u.
Virial Ratio = -1.99999261