(1s 2 2s 2 2p 1 5d 1 ) 3 F F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 1.039434 | 1.37127348 |
| 2 | 4d | .902010 | -3.74286725 |
| 3 | 5d | .803974 | 2.99751703 |
| 4 | 3d | 3.230233 | .04627433 |
| 5 | 4d | 3.977331 | .00322593 |
| 6 | 5d | 2.791028 | .03653540 |
| 7 | 5d | .633882 | -.01533186 |
| 8 | 5d | 32.004752 | .00001459 |
| ORB.ENERGY,a.u. | -.333540 | ||
| NORM | .999996 | < R > | 8.228339 | < R2 > | 76.991202 | < 1/R > | .171698 | < 1/R**2 > | .064175 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.058002 | .84493351 |
| 2 | 2p | 4.531789 | .19859350 |
| 3 | 2p | 10.741948 | .00675224 |
| 4 | 3p | 4.991734 | -.03765513 |
| 5 | 4p | 2.638285 | .01127132 |
| 6 | 4p | 15.150380 | -.00074421 |
| 7 | 5p | 2.163287 | -.00304616 |
| 8 | 3p | .439710 | .00028495 |
| ORB.ENERGY,a.u. | -4.014900 | ||
| NORM | 1.000000 | < R > | .767144 | < R2 > | .718219 | < 1/R > | 1.665319 | < 1/R**2 > | 3.806240 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.053445 | .30961350 |
| 2 | 2s | 2.930233 | -.78613755 |
| 3 | 3s | 4.676610 | -.27228661 |
| 4 | 4s | 11.794064 | .00486686 |
| 5 | 5s | 9.804389 | -.01352723 |
| 6 | 5s | 3.116245 | .02313361 |
| 7 | 4s | 19.424249 | .00126741 |
| 8 | 4s | 2.545113 | -.00757487 |
| 9 | 5s | 59.896384 | .00001730 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .843635 | < R2 > | .836730 | < 1/R > | 1.711002 | < 1/R**2 > | 11.861762 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.339858 | .00124763 |
| 2 | 1s | 8.053762 | .85124602 |
| 3 | 1s | 12.611923 | .14422191 |
| 4 | 2s | 11.008637 | .02090219 |
| 5 | 3s | 9.802361 | -.01581605 |
| 6 | 4s | 15.753533 | .00473454 |
| 7 | 5s | 28.535937 | .00028585 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174824 | < R2 > | .041062 | < 1/R > | 8.657673 | < 1/R**2 > | 151.556081 |
Total Energy= -92.45687175 a.u.
Kinetic Energy= 92.46030955 a.u.
Potential Energy= -184.91718130 a.u.
Virial Ratio = -1.99996282