(1s 2 2s 2 2p 4 3d 1 ) 2 F Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 3.521205 | 1.09229879 |
| 2 | 3d | 8.660206 | .03187327 |
| 3 | 4d | 4.387944 | -.11670820 |
| 4 | 5d | 30.713849 | -.00009917 |
| 5 | 5d | 3.340077 | .00953551 |
| ORB.ENERGY,a.u. | -5.791000 | ||
| NORM | 1.000000 | < R > | .980351 | < R2 > | 1.110145 | < 1/R > | 1.208950 | < 1/R**2 > | 1.795671 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.496452 | 1.13759772 |
| 2 | 3p | 7.320728 | -.21432110 |
| 3 | 2p | 13.802095 | .06964121 |
| 4 | 4p | 16.223396 | .01505740 |
| 5 | 5p | 5.217237 | .00066458 |
| 6 | 5p | 19.412923 | -.00166621 |
| 7 | 4p | 68.609646 | .00002991 |
| ORB.ENERGY,a.u. | -18.452000 | ||
| NORM | 1.000000 | < R > | .348933 | < R2 > | .148835 | < 1/R > | 3.662628 | < 1/R**2 > | 18.370696 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.162875 | .41512462 |
| 2 | 2s | 7.819555 | -.86015173 |
| 3 | 3s | 7.341869 | -.30124278 |
| 4 | 4s | 13.044336 | .00389016 |
| 5 | 3s | 17.397589 | .01469028 |
| 6 | 5s | 39.301092 | .00065302 |
| 7 | 5s | 7.166516 | -.01094090 |
| 8 | 3s | 69.477744 | -.00002160 |
| ORB.ENERGY,a.u. | -20.023000 | ||
| NORM | 1.000000 | < R > | .394071 | < R2 > | .182644 | < 1/R > | 3.723117 | < 1/R**2 > | 56.575865 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.132907 | .91984723 |
| 2 | 1s | 24.598889 | .07653776 |
| 3 | 2s | 11.211725 | .02020212 |
| 4 | 3s | 13.634917 | -.02041065 |
| 5 | 4s | 16.400311 | .00883716 |
| 6 | 5s | 44.073131 | .00073452 |
| 7 | 4s | 106.479533 | -.00002377 |
| ORB.ENERGY,a.u. | -127.520000 |
| NORM | 1.000000 | < R > | .085838 | < R2 > | .009885 | < 1/R > | 17.587896 | < 1/R**2 > | 623.033048 |
Total Energy= -478.73999369 a.u.
Kinetic Energy= 478.70653499 a.u.
Potential Energy= -957.44652867 a.u.
Virial Ratio = -2.00006989