(1s 2 2s 2 2p 1 3d 1 ) 1 D Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 3.132294 | 1.08471179 |
| 2 | 3d | 6.584475 | .03470056 |
| 3 | 4d | 3.620612 | -.10897121 |
| 4 | 5d | 19.791933 | -.00030316 |
| 5 | 4d | 57.708221 | .00000329 |
| ORB.ENERGY,a.u. | -4.736800 | ||
| NORM | 1.000000 | < R > | 1.085193 | < R2 > | 1.357382 | < 1/R > | 1.087578 | < 1/R**2 > | 1.441921 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.643507 | 1.09177162 |
| 2 | 3p | 7.142035 | -.11343362 |
| 3 | 2p | 12.911008 | .01771576 |
| 4 | 5p | 14.401749 | .00417658 |
| 5 | 4p | 27.935156 | -.00080138 |
| 6 | 5p | 5.341153 | .00866035 |
| 7 | 5p | 85.709959 | -.00001800 |
| ORB.ENERGY,a.u. | -13.778000 | ||
| NORM | 1.000000 | < R > | .435223 | < R2 > | .229970 | < 1/R > | 2.913331 | < 1/R**2 > | 11.523797 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.175152 | .36247591 |
| 2 | 2s | 5.162597 | -.80327340 |
| 3 | 3s | 7.658646 | -.27975888 |
| 4 | 4s | 26.357131 | .00131675 |
| 5 | 5s | 14.907931 | -.01183195 |
| 6 | 5s | 5.805638 | .01497394 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .496336 | < R2 > | .288664 | < 1/R > | 2.949984 | < 1/R**2 > | 35.238350 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.165517 | .92620615 |
| 2 | 1s | 20.278632 | .07404766 |
| 3 | 2s | 11.985537 | .01871961 |
| 4 | 3s | 14.835735 | -.01663909 |
| 5 | 4s | 71.695191 | -.00005801 |
| 6 | 5s | 32.436551 | .00090876 |
| 7 | 4s | 7.132724 | .00009560 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110543 | < R2 > | .016375 | < 1/R > | 13.649695 | < 1/R**2 > | 375.288181 |
Total Energy= -243.22322640 a.u.
Kinetic Energy= 243.29429446 a.u.
Potential Energy= -486.51752086 a.u.
Virial Ratio = -1.99970789