(1s 1 3d 1 ) 3 D Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 5.335967 | 1.00181962 |
| 2 | 3d | 19.545588 | .00031420 |
| 3 | 4d | 6.977394 | -.00190697 |
| ORB.ENERGY,a.u. | -14.792000 | ||
| NORM | 1.000000 | < R > | .655891 | < R2 > | .491702 | < 1/R > | 1.779105 | < 1/R**2 > | 3.799711 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.769318 | .88942883 |
| 2 | 1s | 19.407334 | .10540134 |
| 3 | 2s | 17.255055 | .01065635 |
| 4 | 3s | 17.881789 | -.00510895 |
| 5 | 4s | 35.276222 | .00001515 |
| 6 | 5s | 12.568659 | .00004721 |
| ORB.ENERGY,a.u. | -143.240000 |
| NORM | 1.000000 | < R > | .088245 | < R2 > | .010384 | < 1/R > | 16.999000 | < 1/R**2 > | 577.949762 |
Total Energy= -158.75270187 a.u.
Kinetic Energy= 158.72647190 a.u.
Potential Energy= -317.47917377 a.u.
Virial Ratio = -2.00016525