(1s 2 2s 2 2p 1 4d 1 ) 3 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 1.177545 | 1.35738391 |
| 2 | 4d | 1.005353 | -1.80526839 |
| 3 | 3d | 3.535304 | .03209267 |
| 4 | 5d | 1.920735 | -.05417480 |
| 5 | 4d | 25.702288 | .00000966 |
| 6 | 5d | 11.331449 | -.00013863 |
| ORB.ENERGY,a.u. | -.513540 | ||
| NORM | 1.000000 | < R > | 5.057241 | < R2 > | 29.393552 | < 1/R > | .265761 | < 1/R**2 > | .119298 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.065249 | .82290639 |
| 2 | 2p | 4.585393 | .19301334 |
| 3 | 2p | 10.358016 | .00821146 |
| 4 | 3p | 5.040029 | -.01935434 |
| 5 | 4p | 3.353673 | .01535170 |
| 6 | 4p | 15.856374 | -.00066718 |
| 7 | 5p | 1.933143 | -.00287085 |
| 8 | 3p | 1.787387 | .00697451 |
| ORB.ENERGY,a.u. | -3.903000 | ||
| NORM | 1.000000 | < R > | .767284 | < R2 > | .718790 | < 1/R > | 1.665490 | < 1/R**2 > | 3.807599 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.048978 | .30964315 |
| 2 | 2s | 2.933243 | -.78688265 |
| 3 | 3s | 4.690767 | -.27294158 |
| 4 | 4s | 12.512798 | .00530351 |
| 5 | 5s | 9.881571 | -.01111085 |
| 6 | 5s | 2.967122 | .01856121 |
| 7 | 4s | 20.485154 | .00099677 |
| 8 | 4s | 2.114755 | -.00728948 |
| 9 | 5s | 61.095954 | .00001690 |
| 10 | 2s | 1.137552 | .00220224 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .844338 | < R2 > | .838325 | < 1/R > | 1.709718 | < 1/R**2 > | 11.845561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.335485 | .00124475 |
| 2 | 1s | 8.053647 | .85118300 |
| 3 | 1s | 12.612740 | .14425019 |
| 4 | 2s | 11.019003 | .02090987 |
| 5 | 3s | 9.805797 | -.01581438 |
| 6 | 4s | 15.748167 | .00477789 |
| 7 | 5s | 28.677347 | .00028382 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174824 | < R2 > | .041062 | < 1/R > | 8.657675 | < 1/R**2 > | 151.556176 |
Total Energy= -92.64581146 a.u.
Kinetic Energy= 92.64032184 a.u.
Potential Energy= -185.28613331 a.u.
Virial Ratio = -2.00005926