(1s 2 2s 2 2p 1 4s 1 ) 3 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 7.525253 | .08252945 |
| 2 | 2s | 2.456737 | -.46050370 |
| 3 | 3s | 1.721835 | 1.11293275 |
| 4 | 4s | 1.144250 | -1.75838741 |
| 5 | 5s | 4.253365 | -.03917449 |
| 6 | 5s | 1.806853 | .53703415 |
| 7 | 4s | 6.397367 | -.03457340 |
| 8 | 5s | 20.945761 | .00031594 |
| ORB.ENERGY,a.u. | -.650090 | ||
| NORM | .999999 | < R > | 4.646864 | < R2 > | 24.245922 | < 1/R > | .302929 | < 1/R**2 > | .716905 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.090233 | .78411589 |
| 2 | 2p | 4.398136 | .22611031 |
| 3 | 2p | 10.498239 | .00755169 |
| 4 | 3p | 5.220001 | -.02817991 |
| 5 | 4p | 3.401450 | .03251851 |
| 6 | 4p | 15.670446 | -.00067498 |
| 7 | 5p | 1.849808 | -.00295246 |
| 8 | 3p | 1.720416 | .00648442 |
| ORB.ENERGY,a.u. | -3.908200 | ||
| NORM | 1.000000 | < R > | .767380 | < R2 > | .718831 | < 1/R > | 1.664927 | < 1/R**2 > | 3.804274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.086654 | .30756781 |
| 2 | 2s | 2.892853 | -.78591500 |
| 3 | 3s | 4.639906 | -.27113301 |
| 4 | 4s | 17.226417 | .00184163 |
| 5 | 5s | 9.262694 | -.01960925 |
| 6 | 5s | 3.423460 | .02680532 |
| 7 | 4s | 44.389841 | .00001689 |
| 8 | 4s | 1.081989 | .01141934 |
| 9 | 3s | .933528 | -.00885983 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .844242 | < R2 > | .838227 | < 1/R > | 1.710066 | < 1/R**2 > | 11.851225 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.044965 | .85205040 |
| 2 | 1s | 12.614012 | .14459078 |
| 3 | 2s | 10.935636 | .02099863 |
| 4 | 3s | 9.791971 | -.01581075 |
| 5 | 4s | 16.470011 | .00418899 |
| 6 | 5s | .986934 | -.00016373 |
| 7 | 1s | 2.280144 | .00064385 |
| 8 | 5s | 65.610365 | -.00001842 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174830 | < R2 > | .041065 | < 1/R > | 8.657443 | < 1/R**2 > | 151.548844 |
Total Energy= -92.77421792 a.u.
Kinetic Energy= 92.77651151 a.u.
Potential Energy= -185.55072943 a.u.
Virial Ratio = -1.99997528