(1s 2 2s 2 2p 5 3p 1 ) 1 D Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 4.004474 | .44208259 |
| 2 | 3p | 2.031132 | -1.10348806 |
| 3 | 4p | 6.279831 | -.07624486 |
| 4 | 2p | 10.375432 | .03537096 |
| 5 | 5p | 16.621412 | .00388374 |
| 6 | 4p | 23.009636 | .00076165 |
| 7 | 5p | 1.520607 | -.00117037 |
| 8 | 3p | 40.115312 | .00003049 |
| ORB.ENERGY,a.u. | -1.907700 | ||
| NORM | 1.000000 | < R > | 1.817699 | < R2 > | 3.768430 | < 1/R > | .726749 | < 1/R**2 > | 1.143622 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.361668 | 1.25728335 |
| 2 | 3p | 5.180876 | -.33882507 |
| 3 | 2p | 10.482296 | .07840971 |
| 4 | 4p | 12.463764 | .01520862 |
| 5 | 5p | 2.119205 | -.00435650 |
| 6 | 5p | 76.375200 | .00001285 |
| 7 | 4p | 1.831218 | .00414772 |
| ORB.ENERGY,a.u. | -6.743700 | ||
| NORM | 1.000000 | < R > | .507401 | < R2 > | .319063 | < 1/R > | 2.560805 | < 1/R**2 > | 9.153766 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.402815 | .36015351 |
| 2 | 2s | 5.632329 | -.82976992 |
| 3 | 3s | 4.887586 | -.30200798 |
| 4 | 4s | 17.593012 | .00440403 |
| 5 | 3s | 16.247071 | .00691132 |
| 6 | 5s | 34.789930 | .00037907 |
| 7 | 5s | 4.128139 | -.00383392 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .548430 | < R2 > | .356433 | < 1/R > | 2.658018 | < 1/R**2 > | 29.043795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.198402 | .91859177 |
| 2 | 1s | 19.537245 | .07830378 |
| 3 | 2s | 7.817874 | .02029975 |
| 4 | 3s | 9.773228 | -.02093028 |
| 5 | 4s | 12.283400 | .01074845 |
| 6 | 5s | 33.390044 | .00082482 |
| 7 | 4s | 74.956777 | -.00004357 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111323 | < R2 > | .016660 | < 1/R > | 13.589140 | < 1/R**2 > | 372.718642 |
Total Energy= -281.01611496 a.u.
Kinetic Energy= 281.00886954 a.u.
Potential Energy= -562.02498449 a.u.
Virial Ratio = -2.00002578