(1s 2 2s 2 2p 4 5d 1 ) 4 D Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 5d- electron | |
| 1 | 3d | 1.778842 | .97316137 |
| 2 | 4d | 1.226554 | -4.62446166 |
| 3 | 5d | 1.223989 | 4.42036815 |
| 4 | 3d | 4.150924 | .07532346 |
| 5 | 5d | 6.284498 | -.01636123 |
| 6 | 4d | 13.821090 | .00057352 |
| 7 | 5d | 1.003338 | -.03567912 |
| 8 | 3d | 19.776896 | .00010101 |
| ORB.ENERGY,a.u. | -.754750 | ||
| NORM | 1.000006 | < R > | 5.452430 | < R2 > | 33.816182 | < 1/R > | .259796 | < 1/R**2 > | .148239 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.664596 | 1.20039551 |
| 2 | 3p | 5.478504 | -.27017283 |
| 3 | 2p | 10.797574 | .06640653 |
| 4 | 4p | 12.577040 | .01323488 |
| 5 | 5p | .786417 | .00003082 |
| 6 | 5p | 32.486206 | -.00015366 |
| ORB.ENERGY,a.u. | -8.725100 | ||
| NORM | 1.000000 | < R > | .484415 | < R2 > | .288676 | < 1/R > | 2.659553 | < 1/R**2 > | 9.782254 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.199508 | .38078827 |
| 2 | 2s | 5.818312 | -.84756016 |
| 3 | 3s | 5.116080 | -.29998861 |
| 4 | 4s | 19.239904 | .01024360 |
| 5 | 3s | 21.252345 | .00368876 |
| 6 | 5s | 7.690542 | -.00561824 |
| 7 | 5s | 15.407308 | .00739227 |
| 8 | 4s | 3.594543 | -.00026029 |
| 9 | 3s | 40.294410 | -.00007467 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533127 | < R2 > | .335400 | < 1/R > | 2.735267 | < 1/R**2 > | 30.629764 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204993 | .91771597 |
| 2 | 1s | 19.461122 | .07932428 |
| 3 | 2s | 8.039506 | .01968531 |
| 4 | 3s | 9.927284 | -.01992952 |
| 5 | 4s | 12.307688 | .00936983 |
| 6 | 5s | 33.645191 | .00093673 |
| 7 | 4s | 80.921888 | -.00003540 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111165 | < R2 > | .016601 | < 1/R > | 13.601190 | < 1/R**2 > | 373.226290 |
Total Energy= -272.36203869 a.u.
Kinetic Energy= 272.37097725 a.u.
Potential Energy= -544.73301594 a.u.
Virial Ratio = -1.99996718