(1s 1 4d 1 ) 3 D Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | 4.180460 | 1.82013574 |
| 2 | 4d | 3.989181 | -2.32615912 |
| 3 | 3d | 15.246318 | .00056754 |
| 4 | 4d | 3.235453 | .00213393 |
| 5 | 5d | 23.697560 | -.00016457 |
| ORB.ENERGY,a.u. | -8.564100 | ||
| NORM | 1.000000 | < R > | 1.311968 | < R2 > | 1.967293 | < 1/R > | 1.000704 | < 1/R**2 > | 1.603452 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.769727 | .88942493 |
| 2 | 1s | 19.406860 | .10540088 |
| 3 | 2s | 17.274219 | .01065252 |
| 4 | 3s | 17.817265 | -.00512209 |
| 5 | 4s | 29.123041 | .00001816 |
| 6 | 5s | 17.548869 | .00001722 |
| ORB.ENERGY,a.u. | -144.030000 |
| NORM | 1.000000 | < R > | .088240 | < R2 > | .010382 | < 1/R > | 16.999476 | < 1/R**2 > | 577.973514 |
Total Energy= -152.51594442 a.u.
Kinetic Energy= 152.50235538 a.u.
Potential Energy= -305.01829980 a.u.
Virial Ratio = -2.00008911