(1s 2 2s 2 2p 2 3d 1 ) 2 P Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 4.091535 | 1.13062757 |
| 2 | 3d | 9.215367 | .02552080 |
| 3 | 4d | 4.863083 | -.12405699 |
| 4 | 5d | 28.087437 | -.00018460 |
| 5 | 5d | 4.384534 | -.02805103 |
| ORB.ENERGY,a.u. | -8.324100 | ||
| NORM | 1.000000 | < R > | .826432 | < R2 > | .786171 | < 1/R > | 1.425914 | < 1/R**2 > | 2.474669 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.173229 | 1.17329249 |
| 2 | 3p | 8.151615 | -.18871415 |
| 3 | 2p | 18.069735 | .01601315 |
| 4 | 4p | 17.331393 | .00317877 |
| 5 | 5p | 15.347151 | -.00676810 |
| 6 | 5p | 4.036947 | .00008892 |
| 7 | 4p | 71.240721 | .00002606 |
| ORB.ENERGY,a.u. | -23.765000 | ||
| NORM | 1.000000 | < R > | .329533 | < R2 > | .131726 | < 1/R > | 3.843849 | < 1/R**2 > | 20.032115 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.049741 | .43690021 |
| 2 | 2s | 7.994209 | -.87148633 |
| 3 | 3s | 8.110814 | -.28747235 |
| 4 | 4s | 30.195586 | .00189704 |
| 5 | 3s | 16.827714 | .01542417 |
| 6 | 5s | 7.961981 | -.02079432 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .379734 | < R2 > | .168991 | < 1/R > | 3.872139 | < 1/R**2 > | 60.806146 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.068397 | .92683501 |
| 2 | 1s | 25.714908 | .07170851 |
| 3 | 2s | 15.779634 | .01936540 |
| 4 | 3s | 19.687410 | -.01554939 |
| 5 | 5s | 42.545763 | .00077769 |
| 6 | 4s | 99.330232 | -.00003342 |
| 7 | 5s | 12.572183 | .00024473 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085561 | < R2 > | .009807 | < 1/R > | 17.624396 | < 1/R**2 > | 625.044437 |
Total Energy= -438.69544050 a.u.
Kinetic Energy= 438.72075355 a.u.
Potential Energy= -877.41619405 a.u.
Virial Ratio = -1.99994230