(1s 2 2s 2 2p 4 5d 1 ) 2 F F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | .243767 | 1.79433696 |
| 2 | 4d | .199130 | -6.21758487 |
| 3 | 5d | .198245 | 5.27544242 |
| 4 | 3d | 2.289118 | .00251567 |
| 5 | 4d | .149581 | -.07370790 |
| 6 | 5d | 1.623481 | .00187500 |
| 7 | 4d | 7.570143 | .00006819 |
| ORB.ENERGY,a.u. | -.020024 | ||
| NORM | 1.000012 | < R > | 34.436243 | < R2 > | 1345.649628 | < 1/R > | .040239 | < 1/R**2 > | .003294 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.212170 | .67444995 |
| 2 | 2p | 3.946103 | .31716795 |
| 3 | 2p | 9.757470 | .01612903 |
| 4 | 3p | 1.537035 | .05818905 |
| 5 | 4p | 9.445879 | .01370815 |
| 6 | 4p | .939749 | -.04476202 |
| 7 | 3p | 12.416309 | .00323784 |
| 8 | 5p | 1.046545 | .03602044 |
| ORB.ENERGY,a.u. | -1.160200 | ||
| NORM | 1.000000 | < R > | .969878 | < R2 > | 1.195308 | < 1/R > | 1.377828 | < 1/R**2 > | 2.732158 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.491128 | .30248482 |
| 2 | 2s | 3.281108 | -.83664541 |
| 3 | 3s | 2.608784 | -.31945944 |
| 4 | 4s | 4.800093 | .03045295 |
| 5 | 3s | 8.713378 | .02660838 |
| 6 | 5s | 19.218233 | .00077437 |
| 7 | 5s | 2.274532 | -.00526700 |
| 8 | 3s | 92.929552 | .00000356 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960926 | < R2 > | 1.108623 | < 1/R > | 1.503341 | < 1/R**2 > | 9.296186 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.234578 | .87185270 |
| 2 | 1s | 12.237409 | .12096090 |
| 3 | 1s | 8.892441 | .00297904 |
| 4 | 2s | 6.000934 | .01818448 |
| 5 | 3s | 8.221716 | -.00755162 |
| 6 | 4s | 17.092130 | .00294192 |
| 7 | 5s | 52.238504 | -.00004102 |
| 8 | 5s | 4.135084 | .00043801 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632445 | < 1/R**2 > | 150.887128 |
Total Energy= -98.85204756 a.u.
Kinetic Energy= 98.85173699 a.u.
Potential Energy= -197.70378455 a.u.
Virial Ratio = -2.00000314