(1s 2 3d 1 ) 2 D Cl 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 5.001714 | .99964928 |
| 2 | 3d | 13.276912 | .00175415 |
| 3 | 4d | 16.923497 | -.00102843 |
| ORB.ENERGY,a.u. | -12.512000 | ||
| NORM | 1.000000 | < R > | .699554 | < R2 > | .559357 | < 1/R > | 1.668132 | < 1/R**2 > | 3.340831 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.399148 | .93881108 |
| 2 | 1s | 25.823726 | .04858028 |
| 3 | 2s | 20.407120 | .01727904 |
| 4 | 3s | 14.161669 | .00040815 |
| 5 | 4s | 57.432175 | -.00062265 |
| 6 | 5s | 71.054837 | .00020731 |
| 7 | 3s | 98.670287 | -.00002493 |
| ORB.ENERGY,a.u. | -132.700000 |
| NORM | 1.000000 | < R > | .090234 | < R2 > | .010888 | < 1/R > | 16.686964 | < 1/R**2 > | 559.689667 |
Total Energy= -291.00304503 a.u.
Kinetic Energy= 290.99036991 a.u.
Potential Energy= -581.99341494 a.u.
Virial Ratio = -2.00004356