(1s 2 2s 2 2p 5 5d 1 ) 3 F S 6+
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 | 1.956524 | 1.12434080 |
| 2 | 4d | 1.493306 | -4.07491788 |
| 3 | 5d | 1.416323 | 3.66818913 |
| 4 | 3d | 4.340977 | .07927462 |
| 5 | 5d | 6.446938 | -.01835228 |
| 6 | 4d | 11.963023 | .00298636 |
| 7 | 5d | 1.204965 | -.03804954 |
| 8 | 3d | 16.481399 | .00053220 |
| ORB.ENERGY,a.u. | -1.019000 | ||
| NORM | 1.000000 | < R > | 4.712998 | < R2 > | 25.267997 | < 1/R > | .300275 | < 1/R**2 > | .196771 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.372352 | 1.20220336 |
| 2 | 3p | 6.339369 | -.27459176 |
| 3 | 2p | 12.209976 | .07041506 |
| 4 | 4p | 14.690480 | .01207429 |
| 5 | 5p | 84.147437 | .00001452 |
| 6 | 5p | 4.386331 | .00036643 |
| ORB.ENERGY,a.u. | -11.711000 | ||
| NORM | 1.000000 | < R > | .420043 | < R2 > | .217316 | < 1/R > | 3.070860 | < 1/R**2 > | 13.053830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.891826 | .38174456 |
| 2 | 2s | 6.652578 | -.83774117 |
| 3 | 3s | 5.963342 | -.30376705 |
| 4 | 4s | 18.427338 | .00476093 |
| 5 | 3s | 19.516508 | .00664589 |
| 6 | 5s | 34.895317 | .00042206 |
| 7 | 5s | 5.194921 | -.00370948 |
| 8 | 4s | 3.627740 | .00153966 |
| 9 | 3s | 2.466953 | -.00041115 |
| 10 | 2s | 72.115082 | .00001180 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462613 | < R2 > | .252611 | < 1/R > | 3.159869 | < 1/R**2 > | 40.940856 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178710 | .92259718 |
| 2 | 1s | 22.236054 | .07366070 |
| 3 | 2s | 9.339916 | .02084032 |
| 4 | 3s | 11.625983 | -.02138584 |
| 5 | 4s | 14.469242 | .01062742 |
| 6 | 5s | 38.388612 | .00077139 |
| 7 | 4s | 88.764643 | -.00003410 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097011 | < R2 > | .012641 | < 1/R > | 15.580578 | < 1/R**2 > | 489.494679 |
Total Energy= -378.30067972 a.u.
Kinetic Energy= 378.30339296 a.u.
Potential Energy= -756.60407268 a.u.
Virial Ratio = -1.99999283