(1s 1 2s 1 ) 3 S Ar 16+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 2s- electron | |
| 1 | 1s | 13.601399 | .51062616 |
| 2 | 2s | 8.590939 | -.90194693 |
| 3 | 3s | 9.883152 | -.30172634 |
| 4 | 4s | 22.788917 | .00290967 |
| 5 | 5s | 9.537271 | -.01156238 |
| ORB.ENERGY,a.u. | -38.057000 | ||
| NORM | 1.000000 | < R > | .343972 | < R2 > | .137901 | < 1/R > | 4.304822 | < 1/R**2 > | 73.735073 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.781027 | .88949923 |
| 2 | 1s | 20.405851 | .10534924 |
| 3 | 2s | 18.374874 | .01056388 |
| 4 | 3s | 20.022565 | -.00489942 |
| 5 | 4s | 41.086837 | .00012903 |
| 6 | 5s | 39.665337 | -.00014747 |
| ORB.ENERGY,a.u. | -159.560000 |
| NORM | 1.000000 | < R > | .083305 | < R2 > | .009255 | < 1/R > | 18.007226 | < 1/R**2 > | 648.489481 |
Total Energy= -198.98218300 a.u.
Kinetic Energy= 199.16297638 a.u.
Potential Energy= -398.14515938 a.u.
Virial Ratio = -1.99909223