(1s 2 2s 2 2p 4 3d 1 ) 2 F Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 2.129971 | 1.14264567 |
| 2 | 3d | 5.983536 | .03188813 |
| 3 | 4d | 2.738359 | -.16271277 |
| 4 | 5d | 15.806176 | .00014550 |
| 5 | 5d | 1.860861 | .00817669 |
| 6 | 4d | 34.392424 | .00002369 |
| ORB.ENERGY,a.u. | -2.083500 | ||
| NORM | 1.000000 | < R > | 1.628327 | < R2 > | 3.068801 | < 1/R > | .730926 | < 1/R**2 > | .662059 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.582134 | 1.22474655 |
| 2 | 3p | 5.311488 | -.30287449 |
| 3 | 2p | 10.660158 | .07196370 |
| 4 | 4p | 12.470661 | .01410209 |
| 5 | 5p | 32.649096 | -.00014663 |
| 6 | 5p | 3.107577 | .00089476 |
| ORB.ENERGY,a.u. | -8.179600 | ||
| NORM | 1.000000 | < R > | .485556 | < R2 > | .290412 | < 1/R > | 2.655839 | < 1/R**2 > | 9.761390 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.288983 | .37571589 |
| 2 | 2s | 5.755857 | -.84166898 |
| 3 | 3s | 5.154318 | -.29702673 |
| 4 | 4s | 16.103995 | .00882908 |
| 5 | 3s | 18.489470 | .00566349 |
| 6 | 5s | 29.142097 | .00069524 |
| 7 | 5s | 4.686125 | -.00513471 |
| 8 | 3s | 44.694852 | -.00006989 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .534135 | < R2 > | .336911 | < 1/R > | 2.730965 | < 1/R**2 > | 30.545042 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.205154 | .91771562 |
| 2 | 1s | 19.461364 | .07932230 |
| 3 | 2s | 8.044733 | .01967039 |
| 4 | 3s | 9.932989 | -.01991800 |
| 5 | 4s | 12.310753 | .00936404 |
| 6 | 5s | 33.704705 | .00094193 |
| 7 | 4s | 81.011932 | -.00003374 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111162 | < R2 > | .016600 | < 1/R > | 13.601394 | < 1/R**2 > | 373.235269 |
Total Energy= -273.71669030 a.u.
Kinetic Energy= 273.69994198 a.u.
Potential Energy= -547.41663227 a.u.
Virial Ratio = -2.00006119