(1s 2 2s 2 2p 1 4d 1 ) 3 F F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 4d- electron | |
| 1 | 3d | 1.249355 | 1.21673525 |
| 2 | 4d | 1.018333 | -1.65315567 |
| 3 | 3d | 3.475308 | .04311315 |
| 4 | 5d | 1.962869 | -.07926081 |
| 5 | 4d | 29.002425 | .00000506 |
| 6 | 5d | 12.037718 | -.00017563 |
| ORB.ENERGY,a.u. | -.526000 | ||
| NORM | 1.000001 | < R > | 4.926966 | < R2 > | 27.905267 | < 1/R > | .273861 | < 1/R**2 > | .128495 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.924497 | .01988186 |
| 2 | 2p | 2.904999 | .69202480 |
| 3 | 2p | 3.945910 | .28664215 |
| 4 | 3p | 9.479169 | .01173251 |
| 5 | 4p | 8.394299 | .01755707 |
| 6 | 4p | 1.207188 | -.00195082 |
| 7 | 3p | 23.052172 | .00007380 |
| ORB.ENERGY,a.u. | -3.915400 | ||
| NORM | 1.000000 | < R > | .769236 | < R2 > | .722649 | < 1/R > | 1.661938 | < 1/R**2 > | 3.793197 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.055093 | .30925860 |
| 2 | 2s | 2.927117 | -.78611472 |
| 3 | 3s | 4.686497 | -.27228822 |
| 4 | 4s | 11.923322 | .00508402 |
| 5 | 5s | 9.849164 | -.01297671 |
| 6 | 5s | 3.125322 | .02132881 |
| 7 | 4s | 19.709612 | .00119263 |
| 8 | 4s | 2.606999 | -.00673983 |
| 9 | 5s | 60.732724 | .00001690 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .844421 | < R2 > | .838502 | < 1/R > | 1.709547 | < 1/R**2 > | 11.843210 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.333339 | .00125126 |
| 2 | 1s | 8.053503 | .85114678 |
| 3 | 1s | 12.611110 | .14431275 |
| 4 | 2s | 11.011178 | .02091231 |
| 5 | 3s | 9.796763 | -.01582541 |
| 6 | 4s | 15.747267 | .00473488 |
| 7 | 5s | 28.521706 | .00028775 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174822 | < R2 > | .041060 | < 1/R > | 8.657757 | < 1/R**2 > | 151.558450 |
Total Energy= -92.64532496 a.u.
Kinetic Energy= 92.65278460 a.u.
Potential Energy= -185.29810956 a.u.
Virial Ratio = -1.99991949