(1s 2 2s 2 2p 2 3p 1 ) 2 D Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3p- electron | |
| 1 | 2p | 5.757923 | .74562855 |
| 2 | 3p | 4.167712 | -1.37966184 |
| 3 | 2p | 15.048842 | .02296032 |
| 4 | 4p | 10.096864 | -.04407233 |
| 5 | 5p | 25.713360 | .00135714 |
| 6 | 5p | 3.888561 | .00769990 |
| 7 | 4p | 45.455048 | .00005173 |
| 8 | 3p | 1.646473 | -.00018019 |
| ORB.ENERGY,a.u. | -8.890000 | ||
| NORM | 1.000000 | < R > | .952500 | < R2 > | 1.026694 | < 1/R > | 1.372974 | < 1/R**2 > | 3.714892 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.188454 | 1.37395300 |
| 2 | 3p | 9.106458 | -.39117484 |
| 3 | 2p | 4.443822 | -.09230293 |
| 4 | 4p | 11.473925 | .09136680 |
| 5 | 5p | 22.837390 | .00360991 |
| 6 | 3p | 2.314282 | -.02148706 |
| 7 | 5p | 2.896560 | .01268576 |
| 8 | 3p | 29.317475 | -.00010348 |
| ORB.ENERGY,a.u. | -23.721000 | ||
| NORM | 1.000000 | < R > | .322622 | < R2 > | .125079 | < 1/R > | 3.896600 | < 1/R**2 > | 20.470981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.081785 | .43536061 |
| 2 | 2s | 7.965633 | -.87192665 |
| 3 | 3s | 8.146664 | -.28702092 |
| 4 | 4s | 30.587718 | .00186443 |
| 5 | 3s | 16.444363 | .01652227 |
| 6 | 5s | 7.821707 | -.01941273 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .379732 | < R2 > | .168958 | < 1/R > | 3.871741 | < 1/R**2 > | 60.797234 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.064009 | .92754518 |
| 2 | 1s | 25.794393 | .07105318 |
| 3 | 2s | 15.821394 | .01937982 |
| 4 | 3s | 19.782272 | -.01551045 |
| 5 | 5s | 42.276358 | .00071157 |
| 6 | 4s | 94.957826 | -.00004019 |
| 7 | 5s | 14.677140 | .00025186 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085592 | < R2 > | .009815 | < 1/R > | 17.619881 | < 1/R**2 > | 624.789422 |
Total Energy= -439.36179509 a.u.
Kinetic Energy= 439.27587998 a.u.
Potential Energy= -878.63767506 a.u.
Virial Ratio = -2.00019558