(1s 2 2s 2 2p 2 4d 1 ) 4 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 19.993254 | .00011463 |
| 2 | 3d | 2.367092 | 1.24494143 |
| 3 | 4d | 2.003983 | -1.76397917 |
| 4 | 3d | 5.082371 | .05339703 |
| 5 | 5d | 7.501107 | -.01049936 |
| 6 | 4d | 17.116864 | .00015952 |
| 7 | 5d | 1.697817 | .00718407 |
| ORB.ENERGY,a.u. | -2.061800 | ||
| NORM | .999999 | < R > | 2.529527 | < R2 > | 7.337434 | < 1/R > | .526591 | < 1/R**2 > | .459604 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.382286 | 1.16285899 |
| 2 | 3p | 6.578353 | -.18123777 |
| 3 | 2p | 13.869573 | .01652397 |
| 4 | 4p | 14.346652 | .00394068 |
| 5 | 5p | 32.119094 | -.00023062 |
| 6 | 5p | 3.850030 | .00135647 |
| ORB.ENERGY,a.u. | -12.347000 | ||
| NORM | 1.000000 | < R > | .446693 | < R2 > | .242718 | < 1/R > | 2.846319 | < 1/R**2 > | 11.039780 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.234579 | .39952180 |
| 2 | 2s | 5.921659 | -.84519812 |
| 3 | 3s | 6.108908 | -.27717628 |
| 4 | 4s | 22.801836 | .00235686 |
| 5 | 3s | 13.684965 | .01523700 |
| 6 | 5s | 6.085916 | -.03004860 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .507071 | < R2 > | .301717 | < 1/R > | 2.882454 | < 1/R**2 > | 33.759357 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162418 | .92626358 |
| 2 | 1s | 20.401077 | .07282779 |
| 3 | 2s | 12.168531 | .01939983 |
| 4 | 3s | 15.600390 | -.01547517 |
| 5 | 5s | 32.789418 | .00104634 |
| 6 | 4s | 78.201952 | -.00004177 |
| 7 | 5s | 10.220450 | .00045262 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110786 | < R2 > | .016462 | < 1/R > | 13.630443 | < 1/R**2 > | 374.465885 |
Total Energy= -253.53337499 a.u.
Kinetic Energy= 253.52414077 a.u.
Potential Energy= -507.05751576 a.u.
Virial Ratio = -2.00003642