(1s 2 2s 2 2p 2 3p 1 ) 2 S Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 3p- electron | |
| 1 | 2p | 4.583697 | .67741501 |
| 2 | 3p | 2.918083 | -1.26500541 |
| 3 | 2p | 11.514761 | .02649189 |
| 4 | 4p | 7.159455 | -.06477585 |
| 5 | 5p | 17.350456 | .00235652 |
| 6 | 5p | 2.987704 | .01739661 |
| 7 | 4p | 38.962100 | -.00001638 |
| ORB.ENERGY,a.u. | -4.275700 | ||
| NORM | 1.000000 | < R > | 1.306447 | < R2 > | 1.956483 | < 1/R > | 1.046346 | < 1/R**2 > | 2.304657 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.205848 | 1.16888670 |
| 2 | 3p | 5.970881 | -.20736112 |
| 3 | 2p | 12.396864 | .03219685 |
| 4 | 4p | 1.930055 | .00914043 |
| 5 | 4p | 13.710364 | .00791110 |
| 6 | 5p | 30.379650 | -.00026550 |
| 7 | 5p | 2.168980 | -.00760821 |
| ORB.ENERGY,a.u. | -12.029000 | ||
| NORM | 1.000000 | < R > | .448338 | < R2 > | .244842 | < 1/R > | 2.838832 | < 1/R**2 > | 10.990586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.254089 | .39720129 |
| 2 | 2s | 5.896222 | -.84556494 |
| 3 | 3s | 6.068487 | -.27741928 |
| 4 | 4s | 22.901592 | .00230418 |
| 5 | 3s | 13.636672 | .01507295 |
| 6 | 5s | 5.794910 | -.02822475 |
| 7 | 4s | 2.125742 | -.00008990 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .508785 | < R2 > | .303981 | < 1/R > | 2.873008 | < 1/R**2 > | 33.559226 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.159246 | .92705431 |
| 2 | 1s | 20.475002 | .07207215 |
| 3 | 2s | 12.256124 | .01938645 |
| 4 | 3s | 15.690794 | -.01542226 |
| 5 | 5s | 32.616624 | .00095613 |
| 6 | 4s | 74.283288 | -.00004971 |
| 7 | 5s | 11.397820 | .00054699 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110827 | < R2 > | .016477 | < 1/R > | 13.626970 | < 1/R**2 > | 374.315183 |
Total Energy= -255.62283796 a.u.
Kinetic Energy= 255.73519042 a.u.
Potential Energy= -511.35802838 a.u.
Virial Ratio = -1.99956067