(1s 2 2s 2 2p 4 4p 1 ) 2 D Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 4p- electron | |
| 1 | 2p | 6.553125 | .17515390 |
| 2 | 3p | 1.317363 | 2.09238253 |
| 3 | 4p | 2.523602 | -1.48510702 |
| 4 | 5p | 4.577556 | -.17322337 |
| 5 | 3p | 11.613874 | -.00675432 |
| 6 | 5p | 1.250024 | -.27018046 |
| 7 | 4p | 16.495441 | .00109600 |
| 8 | 4p | .842183 | .13469168 |
| 9 | 5p | 63.334186 | .00001366 |
| 10 | 5p | .838335 | -.04940498 |
| ORB.ENERGY,a.u. | -1.344900 | ||
| NORM | 1.000000 | < R > | 3.205988 | < R2 > | 11.617203 | < 1/R > | .435132 | < 1/R**2 > | .547767 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.641090 | 1.20966953 |
| 2 | 3p | 5.429343 | -.27988073 |
| 3 | 2p | 10.775502 | .06745723 |
| 4 | 4p | 12.584034 | .01311446 |
| 5 | 5p | 32.673170 | -.00015380 |
| 6 | 5p | 1.760919 | .00171936 |
| 7 | 4p | 3.800651 | -.00218950 |
| ORB.ENERGY,a.u. | -8.549500 | ||
| NORM | 1.000000 | < R > | .484305 | < R2 > | .288540 | < 1/R > | 2.659804 | < 1/R**2 > | 9.782931 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.330396 | .37393730 |
| 2 | 2s | 5.739786 | -.84075930 |
| 3 | 3s | 5.177055 | -.29593319 |
| 4 | 4s | 16.202136 | .00776673 |
| 5 | 3s | 17.889779 | .00690845 |
| 6 | 5s | 30.474776 | .00048090 |
| 7 | 5s | 4.520479 | -.00563187 |
| 8 | 4s | 3.170520 | .00188007 |
| 9 | 2s | 61.717429 | .00001439 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533512 | < R2 > | .335922 | < 1/R > | 2.733277 | < 1/R**2 > | 30.588776 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 19.479013 | .07912057 |
| 2 | 2s | 8.059522 | .01968269 |
| 3 | 3s | 9.903606 | -.01997342 |
| 4 | 4s | 12.235284 | .00947728 |
| 5 | 5s | 33.723742 | .00089293 |
| 6 | 4s | 78.346352 | -.00003631 |
| 7 | 1s | 13.204100 | .91792273 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111175 | < R2 > | .016605 | < 1/R > | 13.600372 | < 1/R**2 > | 373.191089 |
Total Energy= -272.96480445 a.u.
Kinetic Energy= 272.96053866 a.u.
Potential Energy= -545.92534311 a.u.
Virial Ratio = -2.00001563