(1s 2 2s 2 2p 4 3s 1 ) 4 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 3s- electron | |
| 1 | 1s | 11.811780 | .14168902 |
| 2 | 2s | 4.164695 | -.61540804 |
| 3 | 3s | 2.546220 | 1.23905486 |
| 4 | 4s | 10.127608 | -.01563500 |
| 5 | 5s | 36.617831 | -.00013503 |
| 6 | 3s | 8.772724 | -.03751919 |
| 7 | 4s | 24.681157 | .00122442 |
| 8 | 5s | 1.434909 | .00023556 |
| ORB.ENERGY,a.u. | -3.009400 | ||
| NORM | 1.000000 | < R > | 1.521497 | < R2 > | 2.628027 | < 1/R > | .921085 | < 1/R**2 > | 5.146091 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.569825 | 1.27282521 |
| 2 | 2p | 10.945919 | .06229145 |
| 3 | 3p | 5.337281 | -.34032540 |
| 4 | 4p | 12.858724 | .01172313 |
| 5 | 5p | 31.471448 | -.00018194 |
| 6 | 5p | 3.192620 | .01177205 |
| 7 | 4p | 2.815252 | -.01268560 |
| ORB.ENERGY,a.u. | -8.207000 | ||
| NORM | 1.000000 | < R > | .486320 | < R2 > | .291371 | < 1/R > | 2.651898 | < 1/R**2 > | 9.733195 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.378227 | .32633304 |
| 2 | 2s | 4.678422 | -.84589234 |
| 3 | 3s | 7.682999 | -.21745158 |
| 4 | 4s | 2.632969 | -.06264947 |
| 5 | 5s | 16.346056 | -.01062113 |
| 6 | 4s | 60.207458 | -.00004820 |
| 7 | 3s | 2.086858 | .06397591 |
| 8 | 4s | 1.014463 | -.04708555 |
| 9 | 5s | 1.190550 | .03581711 |
| 10 | 3s | 32.589933 | .00007079 |
| 11 | 3s | .727196 | .00752775 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .536550 | < R2 > | .340923 | < 1/R > | 2.722339 | < 1/R**2 > | 30.386246 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.213738 | .91782517 |
| 2 | 1s | 19.301910 | .07973185 |
| 3 | 2s | 4.796596 | .03665504 |
| 4 | 3s | 5.432758 | -.04562640 |
| 5 | 4s | 6.032797 | .01638636 |
| 6 | 5s | 34.709209 | .00086081 |
| 7 | 4s | 79.363366 | -.00003020 |
| 8 | 5s | 3.053760 | .00029110 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111160 | < R2 > | .016600 | < 1/R > | 13.601399 | < 1/R**2 > | 373.230669 |
Total Energy= -274.59607515 a.u.
Kinetic Energy= 274.61966925 a.u.
Potential Energy= -549.21574439 a.u.
Virial Ratio = -1.99991408