(1s 2 2s 2 2p 1 4p 1 ) 3 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 5.685669 | .23685326 |
| 2 | 3p | 2.741810 | -.94569780 |
| 3 | 5p | 2.601500 | 1.36282890 |
| 4 | 4p | 3.890846 | -.25061531 |
| 5 | 5p | 7.087626 | .04576678 |
| 6 | 4p | 15.904034 | -.00387718 |
| 7 | 5p | 2.230077 | .16526717 |
| 8 | 5p | 35.225774 | -.00051177 |
| 9 | 4p | 53.439307 | -.00010430 |
| ORB.ENERGY,a.u. | -2.769100 | ||
| NORM | .999999 | < R > | 2.331170 | < R2 > | 6.133100 | < 1/R > | .552524 | < 1/R**2 > | .594700 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.884527 | 1.04684787 |
| 2 | 3p | 3.261388 | -.13524167 |
| 3 | 2p | 19.327962 | .00551583 |
| 4 | 5p | 6.485203 | .04964427 |
| 5 | 4p | 10.798882 | -.02613286 |
| 6 | 5p | 2.510084 | .14624316 |
| 7 | 3p | 25.534571 | .00050544 |
| ORB.ENERGY,a.u. | -14.204000 | ||
| NORM | 1.000000 | < R > | .438665 | < R2 > | .279523 | < 1/R > | 2.990047 | < 1/R**2 > | 12.110854 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.147734 | .36476012 |
| 2 | 2s | 5.193506 | -.80494228 |
| 3 | 3s | 7.623411 | -.28150652 |
| 4 | 4s | 25.993900 | .00157679 |
| 5 | 5s | 14.750690 | -.01083975 |
| 6 | 5s | 5.756883 | .01724433 |
| 7 | 4s | 2.496570 | .00029444 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494746 | < R2 > | .286548 | < 1/R > | 2.958786 | < 1/R**2 > | 35.430860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.160987 | .92584900 |
| 2 | 1s | 20.255267 | .07453888 |
| 3 | 2s | 11.813717 | .01894707 |
| 4 | 3s | 14.724604 | -.01688619 |
| 5 | 4s | 69.938594 | -.00006524 |
| 6 | 5s | 32.272753 | .00083935 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110565 | < R2 > | .016382 | < 1/R > | 13.647746 | < 1/R**2 > | 375.202026 |
Total Energy= -241.32131841 a.u.
Kinetic Energy= 241.32488167 a.u.
Potential Energy= -482.64620008 a.u.
Virial Ratio = -1.99998523