(1s 2 2s 2 2p 1 4p 1 ) 3 S F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 2.453468 | .33245603 |
| 2 | 3p | 1.224140 | -1.85840876 |
| 3 | 4p | 1.091760 | 2.19643129 |
| 4 | 5p | 4.801660 | -.02526954 |
| 5 | 2p | 5.728692 | .03784187 |
| 6 | 4p | 14.394625 | -.00099209 |
| 7 | 3p | 19.761461 | -.00012611 |
| ORB.ENERGY,a.u. | -.582980 | ||
| NORM | 1.000002 | < R > | 4.927048 | < R2 > | 27.420679 | < 1/R > | .282410 | < 1/R**2 > | .225925 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.106031 | .85093685 |
| 2 | 2p | 4.871191 | .14616292 |
| 3 | 2p | 10.081045 | .00945670 |
| 4 | 3p | 1.342227 | -.00088868 |
| 5 | 4p | 2.993895 | .02051322 |
| 6 | 4p | 16.242138 | -.00068837 |
| ORB.ENERGY,a.u. | -3.914700 | ||
| NORM | 1.000000 | < R > | .764451 | < R2 > | .713291 | < 1/R > | 1.670890 | < 1/R**2 > | 3.829931 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.068175 | .30837539 |
| 2 | 2s | 2.909675 | -.78688613 |
| 3 | 3s | 4.666534 | -.27162737 |
| 4 | 4s | 15.408375 | .00310115 |
| 5 | 5s | 9.308660 | -.01450296 |
| 6 | 5s | 3.280436 | .02035865 |
| 7 | 4s | 27.690864 | .00013825 |
| 8 | 3s | .783603 | .00024185 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .844668 | < R2 > | .838924 | < 1/R > | 1.708869 | < 1/R**2 > | 11.834288 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.471078 | .00129107 |
| 2 | 1s | 8.052631 | .85098845 |
| 3 | 1s | 12.610897 | .14438917 |
| 4 | 2s | 11.009285 | .02091904 |
| 5 | 3s | 9.844705 | -.01579114 |
| 6 | 4s | 15.797436 | .00481545 |
| 7 | 5s | 28.969886 | .00026388 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174853 | < R2 > | .041077 | < 1/R > | 8.656728 | < 1/R**2 > | 151.530191 |
Total Energy= -92.70861317 a.u.
Kinetic Energy= 92.70966696 a.u.
Potential Energy= -185.41828013 a.u.
Virial Ratio = -1.99998863