(1s 2 2s 2 2p 4 5d 1 ) 2 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | .221950 | 2.38600259 |
| 2 | 4d | .193595 | -8.27965412 |
| 3 | 5d | .198279 | 6.67839863 |
| 4 | 3d | 4.047475 | .00029443 |
| 5 | 5d | .447562 | .02741974 |
| 6 | 4d | 2.912165 | .00092120 |
| ORB.ENERGY,a.u. | -.019906 | ||
| NORM | .999998 | < R > | 34.672174 | < R2 > | 1363.731300 | < 1/R > | .039807 | < 1/R**2 > | .003172 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.212488 | .67410450 |
| 2 | 2p | 3.945172 | .31722284 |
| 3 | 2p | 9.751710 | .01616969 |
| 4 | 3p | 1.541264 | .05827165 |
| 5 | 4p | 9.445700 | .01373943 |
| 6 | 4p | .936569 | -.04475937 |
| 7 | 3p | 12.424865 | .00322916 |
| 8 | 5p | 1.044380 | .03616664 |
| ORB.ENERGY,a.u. | -1.160100 | ||
| NORM | 1.000000 | < R > | .969851 | < R2 > | 1.195216 | < 1/R > | 1.377848 | < 1/R**2 > | 2.732218 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.492411 | .30239741 |
| 2 | 2s | 3.280717 | -.83663094 |
| 3 | 3s | 2.607971 | -.31929356 |
| 4 | 4s | 4.801990 | .03031224 |
| 5 | 3s | 8.732012 | .02662294 |
| 6 | 5s | 19.310515 | .00072425 |
| 7 | 5s | 2.268787 | -.00517078 |
| 8 | 2s | 50.570269 | .00000736 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960927 | < R2 > | 1.108625 | < 1/R > | 1.503337 | < 1/R**2 > | 9.296128 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.234142 | .87147875 |
| 2 | 1s | 12.236707 | .12090978 |
| 3 | 1s | 9.084310 | .00336361 |
| 4 | 2s | 5.999720 | .01826284 |
| 5 | 3s | 8.207783 | -.00758559 |
| 6 | 4s | 17.089584 | .00294410 |
| 7 | 5s | 52.346690 | -.00004092 |
| 8 | 5s | 4.124229 | .00043524 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632443 | < 1/R**2 > | 150.887102 |
Total Energy= -98.85203322 a.u.
Kinetic Energy= 98.85162304 a.u.
Potential Energy= -197.70365626 a.u.
Virial Ratio = -2.00000415