(1s 2 2s 2 4d 1 ) 2 D Cl 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 3.392496 | 1.76062513 |
| 2 | 4d | 3.285292 | -2.32335665 |
| 3 | 3d | 8.547211 | .02619970 |
| 4 | 4d | 6.384755 | .03189256 |
| 5 | 5d | 27.000514 | -.00023069 |
| 6 | 5d | 2.165386 | -.00040705 |
| ORB.ENERGY,a.u. | -5.373400 | ||
| NORM | 1.000000 | < R > | 1.583450 | < R2 > | 2.868800 | < 1/R > | .833914 | < 1/R**2 > | 1.130840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.172258 | .40950972 |
| 2 | 2s | 7.029025 | -.81601807 |
| 3 | 3s | 9.071721 | -.28971890 |
| 4 | 5s | 16.964319 | -.01409474 |
| 5 | 4s | 33.733979 | .00210421 |
| 6 | 5s | 49.905785 | -.00031661 |
| 7 | 5s | 7.178025 | .00360393 |
| ORB.ENERGY,a.u. | -26.553000 | ||
| NORM | 1.000000 | < R > | .388771 | < R2 > | .176510 | < 1/R > | 3.787703 | < 1/R**2 > | 57.774695 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.133800 | .93951530 |
| 2 | 1s | 25.734597 | .05947571 |
| 3 | 2s | 17.661141 | .01969740 |
| 4 | 3s | 20.048956 | -.01647729 |
| 5 | 5s | 40.237920 | .00088884 |
| 6 | 4s | 95.128711 | -.00003431 |
| 7 | 5s | 20.636109 | -.00139591 |
| ORB.ENERGY,a.u. | -127.240000 |
| NORM | 1.000000 | < R > | .090354 | < R2 > | .010921 | < 1/R > | 16.670240 | < 1/R**2 > | 558.732383 |
Total Energy= -340.73398827 a.u.
Kinetic Energy= 340.72839283 a.u.
Potential Energy= -681.46238109 a.u.
Virial Ratio = -2.00001642