(1s 2 2s 2 2p 6 3s 2 3p 1 3d 1 ) 3 F Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | .411534 | 1.47820734 |
| 2 | 4d | .495605 | -.59105093 |
| 3 | 3d | 1.233956 | .33604774 |
| 4 | 4d | 1.572340 | -.13375589 |
| 5 | 5d | 3.216317 | -.00734232 |
| 6 | 3d | 5.526178 | .00343294 |
| ORB.ENERGY,a.u. | -.066578 | ||
| NORM | 1.000000 | < R > | 7.260095 | < R2 > | 64.677594 | < 1/R > | .179481 | < 1/R**2 > | .045635 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.710731 | .20882118 |
| 2 | 2p | .683764 | -1.15036118 |
| 3 | 3p | 1.725935 | -.36792710 |
| 4 | 2p | 7.231972 | .07965943 |
| 5 | 3p | .634224 | .13759841 |
| 6 | 4p | .949306 | .40096029 |
| 7 | 4p | 12.325254 | -.00190935 |
| 8 | 5p | 30.105270 | -.00007356 |
| 9 | 2p | 19.809833 | .00056841 |
| 10 | 5p | .565737 | -.00853460 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.569049 | < R2 > | 7.789001 | < 1/R > | .512845 | < 1/R**2 > | .580541 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.400869 | -.16098990 |
| 2 | 1s | 9.459294 | .18734734 |
| 3 | 1s | 21.616792 | .00220839 |
| 4 | 2s | 4.212882 | -.27250011 |
| 5 | 3s | 1.723568 | .86760695 |
| 6 | 4s | 3.109612 | .14462501 |
| 7 | 5s | 1.509738 | .08673493 |
| 8 | 4s | 45.785566 | -.00005922 |
| 9 | 4s | .530015 | .00065824 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.104961 | < R2 > | 5.115946 | < 1/R > | .631462 | < 1/R**2 > | 2.207154 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.176286 | .48250066 |
| 2 | 3p | 5.436445 | .49312091 |
| 3 | 4p | 4.267821 | .12697726 |
| 4 | 5p | 2.764104 | .00332987 |
| 5 | 2p | 14.234115 | .00944999 |
| 6 | 5p | 31.547015 | -.00045630 |
| 7 | 4p | 45.384636 | -.00008180 |
| 8 | 3p | .861714 | .00014948 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535169 | < R2 > | .359308 | < 1/R > | 2.457226 | < 1/R**2 > | 8.525408 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.399529 | .35140926 |
| 2 | 2s | 4.934035 | -.77290029 |
| 3 | 3s | 4.400003 | -.16876274 |
| 4 | 4s | 21.811432 | .00175399 |
| 5 | 2s | 6.456104 | -.18118582 |
| 6 | 3s | 14.536265 | .01036509 |
| 7 | 4s | 3.381203 | -.00401070 |
| 8 | 4s | 60.787993 | -.00002365 |
| 9 | 5s | 1.367507 | -.00006568 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562501 | < R2 > | .376586 | < 1/R > | 2.592306 | < 1/R**2 > | 27.728616 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577928 | 1.01499633 |
| 2 | 2s | 18.820059 | -.02466504 |
| 3 | 3s | 9.623262 | .02346841 |
| 4 | 4s | 48.672165 | -.00008132 |
| 5 | 4s | 27.357060 | .00097347 |
| 6 | 2s | 69.829809 | .00001912 |
| 7 | 5s | 11.892124 | -.00876201 |
| 8 | 3s | 2.584251 | .00063399 |
| 9 | 4s | 2.958230 | -.00051821 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111426 | < R2 > | .016699 | < 1/R > | 13.581488 | < 1/R**2 > | 372.396289 |
Total Energy= -288.62773136 a.u.
Kinetic Energy= 288.63977561 a.u.
Potential Energy= -577.26750697 a.u.
Virial Ratio = -1.99995827