(1s 1 5d 1 ) 3 D Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 3.199509 | 3.55299097 |
| 2 | 4d | 3.200201 | -8.86745968 |
| 3 | 5d | 3.201213 | 6.00666404 |
| 4 | 3d | 13.553413 | .00064148 |
| 5 | 5d | 22.159477 | -.00022565 |
| 6 | 4d | 2.367559 | .00291329 |
| ORB.ENERGY,a.u. | -5.680700 | ||
| NORM | .999998 | < R > | 2.155564 | < R2 > | 5.270324 | < 1/R > | .640390 | < 1/R**2 > | .821010 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.769932 | .88941990 |
| 2 | 1s | 19.407097 | .10539900 |
| 3 | 2s | 17.286654 | .01065518 |
| 4 | 3s | 17.794784 | -.00512717 |
| 5 | 4s | 27.896295 | .00001714 |
| 6 | 5s | 25.685825 | .00001280 |
| ORB.ENERGY,a.u. | -144.400000 |
| NORM | 1.000000 | < R > | .088238 | < R2 > | .010381 | < 1/R > | 16.999710 | < 1/R**2 > | 577.985256 |
Total Energy= -149.62933129 a.u.
Kinetic Energy= 149.62132938 a.u.
Potential Energy= -299.25066067 a.u.
Virial Ratio = -2.00005348