(1s 2 2s 2 2p 1 3d 1 ) 1 F Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3.055953 | .95975497 |
| 2 | 3d | 7.694421 | .01540224 |
| 3 | 4d | 2.666038 | .04857545 |
| 4 | 5d | 21.621859 | -.00016904 |
| 5 | 5d | 2.658052 | -.01336128 |
| ORB.ENERGY,a.u. | -4.522400 | ||
| NORM | 1.000000 | < R > | 1.151338 | < R2 > | 1.519973 | < 1/R > | 1.018912 | < 1/R**2 > | 1.257431 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.718998 | 1.09504528 |
| 2 | 3p | 7.354095 | -.11497916 |
| 3 | 2p | 14.107089 | .01227342 |
| 4 | 5p | 12.544740 | .00861086 |
| 5 | 4p | 2.583738 | -.01614665 |
| 6 | 5p | 19.053715 | .00320520 |
| 7 | 4p | 2.539828 | .01490055 |
| ORB.ENERGY,a.u. | -13.564000 | ||
| NORM | 1.000000 | < R > | .428450 | < R2 > | .222031 | < 1/R > | 2.949201 | < 1/R**2 > | 11.771922 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.170431 | .36290113 |
| 2 | 2s | 5.168202 | -.80353302 |
| 3 | 3s | 7.656169 | -.28000859 |
| 4 | 4s | 26.423235 | .00137016 |
| 5 | 5s | 14.799546 | -.01165832 |
| 6 | 5s | 5.808039 | .01523305 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .496051 | < R2 > | .288294 | < 1/R > | 2.951690 | < 1/R**2 > | 35.277227 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162237 | .92542995 |
| 2 | 1s | 20.220561 | .07493505 |
| 3 | 2s | 11.805732 | .01878355 |
| 4 | 3s | 14.676217 | -.01672995 |
| 5 | 4s | 69.746086 | -.00006393 |
| 6 | 5s | 32.529828 | .00083416 |
| 7 | 4s | 6.336202 | .00005748 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110550 | < R2 > | .016377 | < 1/R > | 13.649127 | < 1/R**2 > | 375.263229 |
Total Energy= -243.21328490 a.u.
Kinetic Energy= 243.07956106 a.u.
Potential Energy= -486.29284596 a.u.
Virial Ratio = -2.00055012