(1s 2 2s 2 2p 3 ) 2 D Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2221.
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 | 2p- electron | |
| 1 | 2p | 7.051795 | 1.18134161 |
| 2 | 3p | 8.335137 | -.19049479 |
| 3 | 2p | 18.014872 | .01607276 |
| 4 | 4p | 18.204815 | .00149728 |
| 5 | 5p | 15.189695 | -.00934231 |
| 6 | 5p | 6.333076 | .00062438 |
| 7 | 4p | 71.498964 | .00002333 |
| ORB.ENERGY,a.u. | -22.351000 | ||
| NORM | 1.000000 | < R > | .338095 | < R2 > | .139038 | < 1/R > | 3.759829 | < 1/R**2 > | 19.249121 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.165100 | .42463299 |
| 2 | 2s | 7.868784 | -.86580685 |
| 3 | 3s | 7.807563 | -.28804252 |
| 4 | 4s | 30.593722 | .00182930 |
| 5 | 3s | 16.741426 | .01362414 |
| 6 | 5s | 7.818975 | -.01500173 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .385439 | < R2 > | .174252 | < 1/R > | 3.809819 | < 1/R**2 > | 59.019780 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.053065 | .93010022 |
| 2 | 1s | 26.033590 | .06876876 |
| 3 | 2s | 15.799307 | .01988535 |
| 4 | 3s | 20.686099 | -.01470871 |
| 5 | 5s | 41.808471 | .00065375 |
| 6 | 4s | 21.702589 | -.00124337 |
| 7 | 5s | 13.151992 | .00048744 |
| 8 | 3s | 61.838395 | -.00010889 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085708 | < R2 > | .009848 | < 1/R > | 17.604861 | < 1/R**2 > | 623.964706 |
Total Energy= -453.18284916 a.u.
Kinetic Energy= 452.72183624 a.u.
Potential Energy= -905.90468540 a.u.
Virial Ratio = -2.00101831