(1s 2 2s 2 2p 4 3d 1 ) 2 F S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 3d- electron | |
| 1 | 3d | 2.834266 | 1.11959449 |
| 2 | 3d | 7.399669 | .03162094 |
| 3 | 4d | 3.597072 | -.14208850 |
| 4 | 5d | 26.200642 | -.00012222 |
| 5 | 5d | 2.583775 | .00928696 |
| 6 | 4d | 21.389828 | .00005044 |
| ORB.ENERGY,a.u. | -3.710000 | ||
| NORM | 1.000000 | < R > | 1.221115 | < R2 > | 1.724331 | < 1/R > | .972628 | < 1/R**2 > | 1.166799 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.538865 | 1.16986577 |
| 2 | 3p | 6.327829 | -.24851242 |
| 3 | 2p | 12.071559 | .07361685 |
| 4 | 4p | 14.069386 | .01226095 |
| 5 | 5p | 40.870086 | -.00016296 |
| 6 | 5p | 3.991677 | .00069229 |
| ORB.ENERGY,a.u. | -12.810000 | ||
| NORM | 1.000000 | < R > | .405976 | < R2 > | .202113 | < 1/R > | 3.159782 | < 1/R**2 > | 13.732820 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.786003 | .39468789 |
| 2 | 2s | 6.775698 | -.84894977 |
| 3 | 3s | 6.231690 | -.29845621 |
| 4 | 4s | 17.649465 | .00929954 |
| 5 | 3s | 21.454642 | .00647105 |
| 6 | 5s | 31.749386 | .00072147 |
| 7 | 5s | 5.888933 | -.00735267 |
| 8 | 2s | 60.317884 | .00003613 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .453557 | < R2 > | .242348 | < 1/R > | 3.226426 | < 1/R**2 > | 42.557505 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.165146 | .91811668 |
| 2 | 1s | 22.010420 | .07851757 |
| 3 | 2s | 9.681688 | .01985688 |
| 4 | 3s | 11.860064 | -.01989144 |
| 5 | 4s | 14.423501 | .00893276 |
| 6 | 5s | 38.960105 | .00083672 |
| 7 | 4s | 94.816375 | -.00002679 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096879 | < R2 > | .012599 | < 1/R > | 15.593871 | < 1/R**2 > | 490.139052 |
Total Energy= -368.99725441 a.u.
Kinetic Energy= 368.97222327 a.u.
Potential Energy= -737.96947768 a.u.
Virial Ratio = -2.00006784