(1s 2 2s 2 2p 2 3d 1 ) 4 D O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | .689986 | .94986221 |
| 2 | 5d | 3.975465 | -.00164694 |
| 3 | 3d | 2.470768 | .03737720 |
| 4 | 4d | 1.696864 | .02669088 |
| 5 | 5d | .707947 | .02691439 |
| 6 | 4d | 17.022709 | .00002196 |
| ORB.ENERGY,a.u. | -.226370 | ||
| NORM | 1.000000 | < R > | 5.010297 | < R2 > | 29.036455 | < 1/R > | .238120 | < 1/R**2 > | .071071 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.363198 | .79649747 |
| 2 | 2p | 4.089506 | .19430452 |
| 3 | 2p | 9.111996 | .00866868 |
| 4 | 3p | 1.581953 | .06553133 |
| 5 | 4p | 1.456466 | -.02758216 |
| 6 | 5p | 18.288247 | -.00023410 |
| 7 | 5p | 1.352327 | .00777499 |
| 8 | 4p | 58.901351 | .00000216 |
| ORB.ENERGY,a.u. | -1.696000 | ||
| NORM | 1.000000 | < R > | .987385 | < R2 > | 1.208818 | < 1/R > | 1.316895 | < 1/R**2 > | 2.427989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.672425 | .31182639 |
| 2 | 2s | 2.926315 | -.84638430 |
| 3 | 3s | 2.488702 | -.26845457 |
| 4 | 4s | 9.629939 | .01928594 |
| 5 | 3s | 11.416876 | .00687084 |
| 6 | 5s | 1.697398 | -.00085130 |
| 7 | 5s | 19.195463 | .00074790 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034758 | < R2 > | 1.271055 | < 1/R > | 1.387581 | < 1/R**2 > | 7.836076 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.340017 | .73695933 |
| 2 | 1s | 10.790334 | .19547856 |
| 3 | 1s | 2.214063 | .00409231 |
| 4 | 2s | 7.733904 | .09951047 |
| 5 | 3s | 8.866295 | -.02277549 |
| 6 | 4s | 15.076473 | .00462354 |
| 7 | 5s | 3.861748 | -.00081302 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198211 | < R2 > | .052884 | < 1/R > | 7.650591 | < 1/R**2 > | 118.576340 |
Total Energy= -73.32904899 a.u.
Kinetic Energy= 73.32656467 a.u.
Potential Energy= -146.65561366 a.u.
Virial Ratio = -2.00003388