(1s 2 2s 1 4d 1 ) 3 D Cl 13+
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 | 3.850331 | 1.54056070 |
| 2 | 4d | 3.500163 | -2.04672675 |
| 3 | 3d | 8.213975 | .01800943 |
| 4 | 4d | 12.493891 | -.00145810 |
| 5 | 5d | 25.671438 | -.00025800 |
| ORB.ENERGY,a.u. | -6.196500 | ||
| NORM | 1.000000 | < R > | 1.481467 | < R2 > | 2.508958 | < 1/R > | .888124 | < 1/R**2 > | 1.272437 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.790239 | .43691224 |
| 2 | 2s | 7.465341 | -.81682126 |
| 3 | 3s | 8.809866 | -.30564245 |
| 4 | 5s | 15.247996 | -.02044238 |
| 5 | 4s | 30.288455 | .00481205 |
| 6 | 5s | 40.185279 | -.00103360 |
| 7 | 4s | 5.020725 | .00027263 |
| 8 | 3s | 62.649331 | .00004925 |
| ORB.ENERGY,a.u. | -28.893000 | ||
| NORM | 1.000000 | < R > | .381825 | < R2 > | .170028 | < 1/R > | 3.870237 | < 1/R**2 > | 60.323571 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.395926 | .93948538 |
| 2 | 1s | 25.906053 | .04777289 |
| 3 | 2s | 20.363586 | .01682120 |
| 4 | 3s | 12.322363 | .00138676 |
| 5 | 4s | 67.883549 | -.00041984 |
| 6 | 5s | 90.485158 | .00015347 |
| 7 | 5s | 8.608433 | .00009542 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090332 | < R2 > | .010917 | < 1/R > | 16.674676 | < 1/R**2 > | 559.012949 |
Total Energy= -314.41121126 a.u.
Kinetic Energy= 314.28781293 a.u.
Potential Energy= -628.69902419 a.u.
Virial Ratio = -2.00039263