(1s 2 2s 1 2p 1 ) 3 P Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 5.869204 | .90555230 |
| 2 | 2p | 8.170375 | .06726991 |
| 3 | 2p | 16.233235 | .00854736 |
| 4 | 3p | 5.898793 | .03627959 |
| 5 | 4p | 6.387028 | -.00810730 |
| 6 | 5p | 69.316085 | .00002589 |
| ORB.ENERGY,a.u. | -16.695000 | ||
| NORM | 1.000000 | < R > | .419003 | < R2 > | .211721 | < 1/R > | 3.004861 | < 1/R**2 > | 12.171729 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.684409 | .39983556 |
| 2 | 2s | 5.777500 | -.79632622 |
| 3 | 3s | 7.099344 | -.29533758 |
| 4 | 5s | 12.708489 | -.02185224 |
| 5 | 4s | 26.018777 | .00371185 |
| 6 | 5s | 36.580978 | -.00071846 |
| ORB.ENERGY,a.u. | -17.599000 | ||
| NORM | 1.000000 | < R > | .480733 | < R2 > | .269809 | < 1/R > | 3.054637 | < 1/R**2 > | 37.669513 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.402208 | .93399763 |
| 2 | 1s | 21.182059 | .05344932 |
| 3 | 2s | 16.101793 | .01635776 |
| 4 | 3s | 14.737922 | .00126632 |
| 5 | 4s | 53.393462 | -.00056232 |
| 6 | 5s | 69.979583 | .00021442 |
| 7 | 5s | 15.495696 | .00188818 |
| 8 | 4s | 6.733841 | -.00010931 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110449 | < R2 > | .016340 | < 1/R > | 13.657583 | < 1/R**2 > | 375.647563 |
Total Energy= -223.02618788 a.u.
Kinetic Energy= 223.21755602 a.u.
Potential Energy= -446.24374390 a.u.
Virial Ratio = -1.99914268