(1s 2 4p 1 ) 2 P Si 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 6.055986 | .43885732 |
| 2 | 3p | 3.001618 | -1.04881342 |
| 3 | 5p | 3.221568 | 1.78954605 |
| 4 | 4p | 4.476350 | -.50302282 |
| 5 | 5p | 8.729285 | .02886383 |
| 6 | 4p | 19.224344 | -.00433720 |
| 7 | 5p | 2.624963 | .04804642 |
| 8 | 5p | 40.463560 | -.00018378 |
| 9 | 3p | 31.265659 | -.00037298 |
| ORB.ENERGY,a.u. | -4.542300 | ||
| NORM | 1.000000 | < R > | 1.899884 | < R2 > | 4.094866 | < 1/R > | .759014 | < 1/R**2 > | 1.564730 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.413218 | .93622124 |
| 2 | 1s | 21.264505 | .05242641 |
| 3 | 2s | 16.280121 | .01675716 |
| 4 | 3s | 14.706856 | .00078482 |
| 5 | 4s | 22.841403 | -.00094821 |
| 6 | 5s | 30.202413 | .00033907 |
| 7 | 3s | 35.968624 | -.00057140 |
| ORB.ENERGY,a.u. | -88.772000 |
| NORM | 1.000000 | < R > | .110128 | < R2 > | .016229 | < 1/R > | 13.684863 | < 1/R**2 > | 376.855332 |
Total Energy= -191.89908841 a.u.
Kinetic Energy= 191.89909243 a.u.
Potential Energy= -383.79818084 a.u.
Virial Ratio = -1.99999998