(1s 2 2s 2 2p 4 3p 1 ) 2 S Si 5+
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 | 4.300224 | .34036486 |
| 2 | 3p | 2.299443 | -.86377674 |
| 3 | 4p | 2.799250 | -.22294641 |
| 4 | 2p | 8.321009 | .08840505 |
| 5 | 5p | 12.453719 | .00457619 |
| 6 | 5p | 32.502658 | -.00042842 |
| 7 | 4p | 48.933177 | -.00007997 |
| 8 | 5p | 2.369297 | -.01947810 |
| ORB.ENERGY,a.u. | -2.557500 | ||
| NORM | 1.000000 | < R > | 1.625824 | < R2 > | 3.013660 | < 1/R > | .818163 | < 1/R**2 > | 1.431320 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.638250 | 1.21262072 |
| 2 | 3p | 5.419100 | -.28337966 |
| 3 | 2p | 10.785219 | .06692425 |
| 4 | 4p | 12.561579 | .01268976 |
| 5 | 5p | 2.084828 | -.00034450 |
| 6 | 5p | 33.677184 | -.00015335 |
| ORB.ENERGY,a.u. | -8.156300 | ||
| NORM | 1.000000 | < R > | .484786 | < R2 > | .289140 | < 1/R > | 2.657684 | < 1/R**2 > | 9.769265 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.310699 | .37415630 |
| 2 | 2s | 5.739596 | -.83977863 |
| 3 | 3s | 5.173388 | -.29600299 |
| 4 | 4s | 15.921198 | .00851790 |
| 5 | 3s | 18.590324 | .00563647 |
| 6 | 5s | 28.040237 | .00082018 |
| 7 | 5s | 4.660260 | -.00662330 |
| 8 | 3s | 43.375202 | -.00008734 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .534704 | < R2 > | .337633 | < 1/R > | 2.727621 | < 1/R**2 > | 30.474190 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.202568 | .91835969 |
| 2 | 1s | 19.511542 | .07872239 |
| 3 | 2s | 8.112160 | .01962975 |
| 4 | 3s | 9.888907 | -.01999195 |
| 5 | 4s | 12.120830 | .00963487 |
| 6 | 5s | 33.745183 | .00080264 |
| 7 | 4s | 74.025064 | -.00004344 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111190 | < R2 > | .016610 | < 1/R > | 13.599163 | < 1/R**2 > | 373.139292 |
Total Energy= -274.20467419 a.u.
Kinetic Energy= 274.17230875 a.u.
Potential Energy= -548.37698295 a.u.
Virial Ratio = -2.00011805