(1s 2 2s 2 2p 6 3s 2 3p 4 4s 1 ) 2 P Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 3s | 1.174626 | .27384532 |
| 2 | 4s | 8.247809 | -.03195991 |
| 3 | 2s | .446851 | -.04949179 |
| 4 | 3s | .409489 | .01100529 |
| 5 | 1s | 13.878829 | .03681106 |
| 6 | 2s | 7.046824 | -.10294995 |
| 7 | 3s | 3.095317 | .26664766 |
| 8 | 4s | 1.044367 | -.90004615 |
| 9 | 5s | 1.714686 | -.34471920 |
| 10 | 5s | 19.436254 | -.00176057 |
| ORB.ENERGY,a.u. | -.553840 | ||
| NORM | 1.000000 | < R > | 4.234422 | < R2 > | 20.049973 | < 1/R > | .292276 | < 1/R**2 > | .495119 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.824009 | .94939646 |
| 2 | 2p | 2.007675 | -1.19715262 |
| 3 | 3p | 4.519018 | -.47484588 |
| 4 | 2p | 10.332952 | .08624529 |
| 5 | 3p | 15.981709 | -.00264018 |
| 6 | 4p | 1.877228 | -.06020212 |
| 7 | 5p | 2.099966 | -.01725716 |
| 8 | 5p | 41.974116 | -.00015363 |
| 9 | 3p | 1.568618 | .01302539 |
| 10 | 4p | 62.325773 | -.00002464 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.478458 | < R2 > | 2.548738 | < 1/R > | .906537 | < 1/R**2 > | 1.810935 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.726771 | 2.00003819 |
| 2 | 1s | 18.097449 | .03248049 |
| 3 | 2s | 6.471172 | -1.19064932 |
| 4 | 3s | 1.536830 | -.04460743 |
| 5 | 4s | 5.349676 | -.36772835 |
| 6 | 5s | 8.605523 | -.12303359 |
| 7 | 2s | .317836 | -.00697559 |
| 8 | 3s | 58.672967 | -.00018889 |
| 9 | 4s | 88.136629 | .00005877 |
| 10 | 5s | .514756 | .00434791 |
| 11 | 2s | 196.925541 | -.00000143 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.338118 | < R2 > | 2.052508 | < 1/R > | 1.020165 | < 1/R**2 > | 6.106111 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.898791 | .47242296 |
| 2 | 3p | 8.064390 | .47440058 |
| 3 | 4p | 6.703705 | .14359074 |
| 4 | 5p | 5.291860 | .00964191 |
| 5 | 2p | 20.007227 | .00691916 |
| 6 | 5p | 15.397866 | -.00704514 |
| 7 | 3p | 48.531335 | .00003763 |
| 8 | 3p | 2.297694 | .00144415 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375352 | < R2 > | .174414 | < 1/R > | 3.450290 | < 1/R**2 > | 16.529298 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.462619 | .38470044 |
| 2 | 2s | 7.555902 | -.80406012 |
| 3 | 3s | 6.905837 | -.26192339 |
| 4 | 4s | 30.557938 | .00184276 |
| 5 | 3s | 17.101836 | .00794860 |
| 6 | 2s | 4.500550 | -.07944022 |
| 7 | 5s | 2.629639 | -.00521144 |
| 8 | 4s | 2.218726 | .00529157 |
| 9 | 5s | 81.420944 | .00001241 |
| 10 | 3s | .533735 | .00006673 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411770 | < R2 > | .200657 | < 1/R > | 3.559452 | < 1/R**2 > | 52.089812 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580807 | 1.00986051 |
| 2 | 2s | 22.410457 | -.01728761 |
| 3 | 3s | 14.919237 | .01754229 |
| 4 | 4s | 51.125098 | -.00050645 |
| 5 | 4s | 12.544617 | .00289050 |
| 6 | 5s | 60.078409 | .00012312 |
| 7 | 5s | 15.999700 | -.00409791 |
| 8 | 2s | 34.439722 | -.00228550 |
| 9 | 2s | 85.554936 | .00004376 |
| 10 | 5s | 4.199980 | -.00002867 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554042 | < 1/R**2 > | 621.169531 |
Total Energy= -525.68132417 a.u.
Kinetic Energy= 525.67107545 a.u.
Potential Energy= -1051.35239963 a.u.
Virial Ratio = -2.00001950