(1s 2 2s 2 2p 2 3d 1 ) 4 D Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 2.778175 | 1.11026802 |
| 2 | 3d | 6.155944 | .05042162 |
| 3 | 4d | 3.236283 | -.13915064 |
| 4 | 5d | 20.592788 | -.00027485 |
| 5 | 5d | 2.887154 | -.00545723 |
| ORB.ENERGY,a.u. | -3.734900 | ||
| NORM | 1.000000 | < R > | 1.208029 | < R2 > | 1.688584 | < 1/R > | .982759 | < 1/R**2 > | 1.187714 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.260891 | 1.20415374 |
| 2 | 3p | 6.251034 | -.22854865 |
| 3 | 2p | 13.562458 | .01928703 |
| 4 | 4p | 14.776184 | .00425908 |
| 5 | 5p | 30.490595 | -.00029742 |
| 6 | 5p | 4.330260 | .00335111 |
| ORB.ENERGY,a.u. | -11.911000 | ||
| NORM | 1.000000 | < R > | .449779 | < R2 > | .246679 | < 1/R > | 2.832645 | < 1/R**2 > | 10.952492 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.229855 | .39878830 |
| 2 | 2s | 5.921232 | -.84480874 |
| 3 | 3s | 6.066884 | -.27750646 |
| 4 | 4s | 22.645746 | .00237868 |
| 5 | 3s | 13.797216 | .01480888 |
| 6 | 5s | 5.898546 | -.03115906 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .508504 | < R2 > | .303684 | < 1/R > | 2.875090 | < 1/R**2 > | 33.603797 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162739 | .92626231 |
| 2 | 1s | 20.401583 | .07282411 |
| 3 | 2s | 12.182365 | .01939133 |
| 4 | 3s | 15.601220 | -.01547447 |
| 5 | 5s | 32.822400 | .00104583 |
| 6 | 4s | 78.104873 | -.00004140 |
| 7 | 5s | 10.153387 | .00046423 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110781 | < R2 > | .016461 | < 1/R > | 13.630855 | < 1/R**2 > | 374.484195 |
Total Energy= -255.17350193 a.u.
Kinetic Energy= 255.19753718 a.u.
Potential Energy= -510.37103911 a.u.
Virial Ratio = -1.99990582