(1s 2 2s 2 2p 4 5d 1 ) 2 F Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 1.671322 | 1.16984635 |
| 2 | 4d | 1.232151 | -4.71238288 |
| 3 | 5d | 1.209715 | 4.31180655 |
| 4 | 3d | 4.197885 | .05855702 |
| 5 | 5d | 6.324836 | -.01493521 |
| 6 | 4d | 12.972833 | .00083089 |
| 7 | 5d | .993813 | -.03789793 |
| 8 | 3d | 18.707904 | .00012893 |
| ORB.ENERGY,a.u. | -.742150 | ||
| NORM | .999997 | < R > | 5.549102 | < R2 > | 35.027606 | < 1/R > | .254642 | < 1/R**2 > | .140403 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.661619 | 1.20192471 |
| 2 | 3p | 5.467799 | -.27193161 |
| 3 | 2p | 10.798549 | .06649881 |
| 4 | 4p | 12.592999 | .01320064 |
| 5 | 5p | .777773 | .00002855 |
| 6 | 5p | 32.332581 | -.00015511 |
| ORB.ENERGY,a.u. | -8.712500 | ||
| NORM | 1.000000 | < R > | .484302 | < R2 > | .288538 | < 1/R > | 2.660087 | < 1/R**2 > | 9.785740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.315128 | .37498088 |
| 2 | 2s | 5.743684 | -.84091376 |
| 3 | 3s | 5.176532 | -.29620561 |
| 4 | 4s | 16.615293 | .00701900 |
| 5 | 3s | 17.158189 | .00661141 |
| 6 | 5s | 33.421437 | .00051592 |
| 7 | 5s | 4.725570 | -.00356584 |
| 8 | 4s | 3.000303 | .00038746 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533118 | < R2 > | .335387 | < 1/R > | 2.735320 | < 1/R**2 > | 30.630963 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204832 | .91772208 |
| 2 | 1s | 19.462890 | .07931857 |
| 3 | 2s | 8.041517 | .01968135 |
| 4 | 3s | 9.929071 | -.01992549 |
| 5 | 4s | 12.307929 | .00936943 |
| 6 | 5s | 33.690591 | .00093638 |
| 7 | 4s | 80.892135 | -.00003405 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111165 | < R2 > | .016601 | < 1/R > | 13.601157 | < 1/R**2 > | 373.224885 |
Total Energy= -272.36225638 a.u.
Kinetic Energy= 272.35832956 a.u.
Potential Energy= -544.72058595 a.u.
Virial Ratio = -2.00001442