(1s 2 2s 2 2p 1 5p 1 ) 3 D F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 2p | 3.732801 | .14720883 |
| 2 | 3p | 1.126112 | -2.07985494 |
| 3 | 4p | .974829 | 4.26916576 |
| 4 | 5p | .846586 | -3.02222275 |
| 5 | 2p | 1.560543 | .12876376 |
| 6 | 5p | 4.066820 | .03680914 |
| 7 | 3p | 7.059690 | -.00781055 |
| 8 | 4p | 17.313118 | -.00019452 |
| ORB.ENERGY,a.u. | -.364030 | ||
| NORM | 1.000001 | < R > | 8.023804 | < R2 > | 72.349043 | < 1/R > | .177708 | < 1/R**2 > | .113197 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.105989 | .86089190 |
| 2 | 2p | 4.860374 | .14951602 |
| 3 | 2p | 10.564225 | .00744857 |
| 4 | 3p | 5.175567 | -.01130375 |
| 5 | 4p | 3.060496 | .01834040 |
| 6 | 4p | 15.475341 | -.00068173 |
| ORB.ENERGY,a.u. | -4.017400 | ||
| NORM | 1.000000 | < R > | .765371 | < R2 > | .714823 | < 1/R > | 1.668701 | < 1/R**2 > | 3.820177 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.080285 | .30801871 |
| 2 | 2s | 2.895399 | -.78826195 |
| 3 | 3s | 4.670055 | -.27110990 |
| 4 | 4s | 16.329191 | .00248330 |
| 5 | 5s | 9.225730 | -.01679552 |
| 6 | 5s | 3.306294 | .02585001 |
| 7 | 4s | 33.663642 | .00004818 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .843741 | < R2 > | .836907 | < 1/R > | 1.710712 | < 1/R**2 > | 11.857989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.428798 | .00127989 |
| 2 | 1s | 8.052939 | .85107280 |
| 3 | 1s | 12.614705 | .14428785 |
| 4 | 2s | 11.027046 | .02093354 |
| 5 | 3s | 9.824580 | -.01580880 |
| 6 | 4s | 15.761812 | .00482098 |
| 7 | 5s | 28.879789 | .00027557 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174839 | < R2 > | .041070 | < 1/R > | 8.657184 | < 1/R**2 > | 151.542614 |
Total Energy= -92.48684570 a.u.
Kinetic Energy= 92.49075235 a.u.
Potential Energy= -184.97759805 a.u.
Virial Ratio = -1.99995776