(1s 2 2s 2 2p 4 ) 1 D Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 5.057380 | 1.42148338 |
| 2 | 3p | 6.677393 | -.51202255 |
| 3 | 4p | 8.400064 | .08220705 |
| 4 | 5p | 4.453479 | .02006019 |
| 5 | 4p | 22.663388 | -.00200984 |
| 6 | 3p | 28.638841 | -.00035435 |
| 7 | 4p | 3.561187 | -.00751992 |
| ORB.ENERGY,a.u. | -8.777800 | ||
| NORM | 1.000000 | < R > | .485546 | < R2 > | .290203 | < 1/R > | 2.655323 | < 1/R**2 > | 9.758938 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.273033 | .37736232 |
| 2 | 2s | 5.725487 | -.86055613 |
| 3 | 3s | 5.115965 | -.28262424 |
| 4 | 4s | 23.242327 | .00209253 |
| 5 | 3s | 13.459725 | .01449739 |
| 6 | 5s | 3.812014 | -.00032781 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .532716 | < R2 > | .334836 | < 1/R > | 2.737369 | < 1/R**2 > | 30.673478 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.143529 | .92287395 |
| 2 | 1s | 20.142620 | .07601737 |
| 3 | 2s | 11.131379 | .01895481 |
| 4 | 3s | 16.353028 | -.01555036 |
| 5 | 4s | 25.314772 | .00314540 |
| 6 | 5s | 48.000999 | .00012323 |
| 7 | 5s | 9.080508 | .00065123 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .111162 | < R2 > | .016600 | < 1/R > | 13.601397 | < 1/R**2 > | 373.234917 |
Total Energy= -271.61572416 a.u.
Kinetic Energy= 271.40402802 a.u.
Potential Energy= -543.01975218 a.u.
Virial Ratio = -2.00078000