(1s 2 2s 2 2p 1 5p 1 ) 1 D Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 5p- electron | |
| 1 | 2p | 4.833583 | .24899114 |
| 2 | 3p | 2.141435 | -3.01975497 |
| 3 | 4p | 1.874796 | 8.61629233 |
| 4 | 5p | 1.866424 | -6.38954014 |
| 5 | 2p | 15.711952 | .00146009 |
| 6 | 5p | 6.931427 | .04288156 |
| 7 | 5p | 3.470747 | -.19019714 |
| ORB.ENERGY,a.u. | -1.724100 | ||
| NORM | 1.000002 | < R > | 3.804920 | < R2 > | 16.284675 | < 1/R > | .356346 | < 1/R**2 > | .321039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.804150 | 1.17603008 |
| 2 | 3p | 1.346707 | -.57250245 |
| 3 | 3p | 7.907842 | -.17652272 |
| 4 | 4p | 2.141603 | .23673891 |
| 5 | 5p | 2.323830 | .23312692 |
| 6 | 5p | 12.057907 | .01350476 |
| 7 | 4p | 23.083245 | -.00262152 |
| 8 | 5p | 1.506809 | .11861518 |
| 9 | 3p | 28.317369 | -.00056710 |
| ORB.ENERGY,a.u. | -14.378000 | ||
| NORM | 1.000000 | < R > | .438025 | < R2 > | .279982 | < 1/R > | 2.959480 | < 1/R**2 > | 11.867243 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.144853 | .36524569 |
| 2 | 2s | 5.197981 | -.80539371 |
| 3 | 3s | 7.618070 | -.28153879 |
| 4 | 4s | 26.135428 | .00151738 |
| 5 | 5s | 14.765631 | -.01117886 |
| 6 | 5s | 5.756998 | .01833146 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494282 | < R2 > | .285975 | < 1/R > | 2.961660 | < 1/R**2 > | 35.494419 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162224 | .92572793 |
| 2 | 1s | 20.229196 | .07470893 |
| 3 | 2s | 11.719802 | .01892482 |
| 4 | 3s | 14.616828 | -.01690699 |
| 5 | 4s | 69.189260 | -.00006922 |
| 6 | 5s | 32.287719 | .00079966 |
| 7 | 4s | 3.861728 | .00001757 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110555 | < R2 > | .016379 | < 1/R > | 13.648570 | < 1/R**2 > | 375.237898 |
Total Energy= -240.29112456 a.u.
Kinetic Energy= 240.28072436 a.u.
Potential Energy= -480.57184892 a.u.
Virial Ratio = -2.00004328