(1s 2 2s 2 5s 1 ) 2 S Si 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 10.689822 | .09776585 |
| 2 | 2s | 2.383307 | -2.24282756 |
| 3 | 3s | 2.316627 | 8.45746167 |
| 4 | 4s | 2.334630 | -9.84047025 |
| 5 | 5s | 2.049921 | 4.06714127 |
| 6 | 5s | 15.775848 | -.00615266 |
| 7 | 4s | 8.025442 | -.04632976 |
| 8 | 5s | 1.163156 | -.00171521 |
| 9 | 4s | 22.129351 | -.00028476 |
| ORB.ENERGY,a.u. | -2.168300 | ||
| NORM | 1.000001 | < R > | 3.468849 | < R2 > | 13.466457 | < 1/R > | .421283 | < 1/R**2 > | 1.756393 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.767907 | .39330835 |
| 2 | 2s | 5.729983 | -.77917261 |
| 3 | 3s | 7.186242 | -.30792857 |
| 4 | 5s | 13.589735 | -.01756820 |
| 5 | 4s | 27.108363 | .00300793 |
| 6 | 5s | 6.889823 | -.00514068 |
| 7 | 5s | 38.956259 | -.00048333 |
| 8 | 4s | 2.464458 | .00248006 |
| 9 | 3s | 1.981040 | -.00258263 |
| ORB.ENERGY,a.u. | -16.945000 | ||
| NORM | 1.000000 | < R > | .482171 | < R2 > | .271590 | < 1/R > | 3.041769 | < 1/R**2 > | 37.284583 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.193147 | .93439747 |
| 2 | 1s | 21.102219 | .06498803 |
| 3 | 2s | 14.140823 | .01952929 |
| 4 | 3s | 16.187127 | -.01658742 |
| 5 | 5s | 32.610798 | .00109014 |
| 6 | 4s | 76.786022 | -.00004598 |
| 7 | 5s | 16.738238 | -.00100960 |
| ORB.ENERGY,a.u. | -84.031000 |
| NORM | 1.000000 | < R > | .110278 | < R2 > | .016280 | < 1/R > | 13.670789 | < 1/R**2 > | 376.189457 |
Total Energy= -225.98750184 a.u.
Kinetic Energy= 225.98750754 a.u.
Potential Energy= -451.97500937 a.u.
Virial Ratio = -1.99999997