(1s 2 2s 1 3p 1 ) 1 P Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 2p | 4.466041 | 1.00764343 |
| 2 | 3p | 3.697348 | -1.61108923 |
| 3 | 2p | 11.368004 | .02928982 |
| 4 | 4p | 14.404286 | .00779719 |
| 5 | 3p | 34.120495 | .00007024 |
| 6 | 5p | 3.353352 | .00313499 |
| ORB.ENERGY,a.u. | -6.988300 | ||
| NORM | 1.000000 | < R > | 1.092683 | < R2 > | 1.375267 | < 1/R > | 1.276114 | < 1/R**2 > | 3.356089 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.394691 | .42381525 |
| 2 | 2s | 6.123056 | -.79366897 |
| 3 | 3s | 6.898937 | -.31152316 |
| 4 | 5s | 11.707302 | -.03281913 |
| 5 | 4s | 25.122322 | .00705204 |
| 6 | 5s | 33.238687 | -.00187107 |
| 7 | 4s | 4.059113 | .00076006 |
| 8 | 3s | 59.154145 | .00005891 |
| ORB.ENERGY,a.u. | -18.121000 | ||
| NORM | 1.000000 | < R > | .472672 | < R2 > | .260422 | < 1/R > | 3.114108 | < 1/R**2 > | 39.111118 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.403832 | .93639502 |
| 2 | 1s | 21.441515 | .05157818 |
| 3 | 2s | 16.467770 | .01654039 |
| 4 | 3s | 8.493869 | .00132230 |
| 5 | 4s | 54.004675 | -.00055405 |
| 6 | 5s | 71.172666 | .00020678 |
| 7 | 5s | 16.546686 | .00077683 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110334 | < R2 > | .016304 | < 1/R > | 13.667998 | < 1/R**2 > | 376.107612 |
Total Energy= -213.56355488 a.u.
Kinetic Energy= 213.52020248 a.u.
Potential Energy= -427.08375736 a.u.
Virial Ratio = -2.00020304