(1s 2 2s 2 2p 5 3d 1 ) 3 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 1.832886 | 1.16626336 |
| 2 | 3d | 5.222871 | .04324936 |
| 3 | 4d | 2.355717 | -.19909044 |
| 4 | 5d | 8.275556 | -.00244774 |
| 5 | 4d | 31.809231 | .00003080 |
| 6 | 5d | 1.683032 | .01984948 |
| ORB.ENERGY,a.u. | -1.478500 | ||
| NORM | 1.000000 | < R > | 1.896085 | < R2 > | 4.178218 | < 1/R > | .631797 | < 1/R**2 > | .499886 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.258039 | 1.28133758 |
| 2 | 3p | 4.995436 | -.37512202 |
| 3 | 2p | 10.252916 | .08888850 |
| 4 | 5p | 83.008094 | .00001006 |
| 5 | 4p | 12.184592 | .01724242 |
| 6 | 5p | 2.985683 | .01060482 |
| 7 | 4p | 2.657923 | -.01145148 |
| ORB.ENERGY,a.u. | -6.816500 | ||
| NORM | 1.000000 | < R > | .508170 | < R2 > | .320527 | < 1/R > | 2.559616 | < 1/R**2 > | 9.150782 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.386276 | .36142729 |
| 2 | 2s | 5.646310 | -.83109237 |
| 3 | 3s | 4.882128 | -.30273334 |
| 4 | 4s | 17.247832 | .00519295 |
| 5 | 3s | 16.648314 | .00653807 |
| 6 | 5s | 34.370061 | .00041092 |
| 7 | 5s | 4.183151 | -.00304747 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547792 | < R2 > | .355584 | < 1/R > | 2.661473 | < 1/R**2 > | 29.115638 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199949 | .91834161 |
| 2 | 1s | 19.516075 | .07854626 |
| 3 | 2s | 7.799150 | .02026900 |
| 4 | 3s | 9.794066 | -.02089946 |
| 5 | 4s | 12.353746 | .01062875 |
| 6 | 5s | 33.580959 | .00089216 |
| 7 | 4s | 77.467792 | -.00003582 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111302 | < R2 > | .016653 | < 1/R > | 13.590829 | < 1/R**2 > | 372.791033 |
Total Energy= -280.55517686 a.u.
Kinetic Energy= 280.58066397 a.u.
Potential Energy= -561.13584083 a.u.
Virial Ratio = -1.99990916