(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 4 F P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | .439686 | .38135836 |
| 2 | 4d | .232550 | -2.52104646 |
| 3 | 5d | .219891 | 2.77290406 |
| 4 | 3d | 1.088555 | .27319112 |
| 5 | 4d | 1.352243 | -.14116732 |
| 6 | 5d | 4.482846 | .00368880 |
| 7 | 3d | 5.292391 | .00369182 |
| ORB.ENERGY,a.u. | -.150210 | ||
| NORM | .999984 | < R > | 28.905742 | < R2 > | 961.078453 | < 1/R > | .055069 | < 1/R**2 > | .009861 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.099591 | .26345676 |
| 2 | 2p | 1.079600 | -.87198848 |
| 3 | 3p | 1.985274 | -.29202384 |
| 4 | 2p | 8.120896 | .08532236 |
| 5 | 4p | 1.211121 | .11404259 |
| 6 | 3p | 12.376600 | -.00445903 |
| 7 | 4p | 30.152274 | -.00013726 |
| 8 | 5p | .457850 | .00043210 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.136894 | < R2 > | 5.325936 | < 1/R > | .617240 | < 1/R**2 > | .839890 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.354048 | -.17716114 |
| 2 | 1s | 10.703059 | .17022551 |
| 3 | 1s | 41.165276 | .00023290 |
| 4 | 2s | 4.745669 | -.24271133 |
| 5 | 3s | 1.912825 | .83902839 |
| 6 | 4s | 3.414275 | .19466868 |
| 7 | 3s | 29.359004 | -.00057619 |
| 8 | 5s | 1.720277 | .06518344 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.849187 | < R2 > | 3.941511 | < 1/R > | .724595 | < 1/R**2 > | 2.966318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372395 | .42813891 |
| 2 | 3p | 6.500503 | .49497419 |
| 3 | 2p | 20.148982 | .00249400 |
| 4 | 4p | 5.240450 | .18068362 |
| 5 | 5p | 4.034783 | .01285869 |
| 6 | 3p | 38.392571 | .00006554 |
| 7 | 4p | 80.911306 | -.00000234 |
| 8 | 3p | 1.599905 | .00090649 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483341 | < R2 > | .291745 | < 1/R > | 2.706670 | < 1/R**2 > | 10.286900 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194660 | .35988269 |
| 2 | 2s | 5.437925 | -.77666616 |
| 3 | 3s | 4.857023 | -.17146099 |
| 4 | 4s | 23.641026 | .00226734 |
| 5 | 2s | 6.760167 | -.17609758 |
| 6 | 3s | 15.376296 | .00817160 |
| 7 | 5s | 4.029956 | -.00308744 |
| 8 | 4s | 1.913915 | -.00025117 |
| 9 | 5s | 48.451874 | .00005341 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515308 | < R2 > | .315428 | < 1/R > | 2.833521 | < 1/R**2 > | 33.095700 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.423970 | -.00021692 |
| 2 | 1s | 14.570410 | 1.01425952 |
| 3 | 2s | 21.105447 | -.02188147 |
| 4 | 3s | 11.321560 | .01689844 |
| 5 | 4s | 20.113642 | -.00094956 |
| 6 | 5s | 17.687072 | .00342805 |
| 7 | 5s | 62.441182 | -.00003186 |
| 8 | 4s | 12.074508 | -.00660212 |
| 9 | 2s | 54.221153 | .00013075 |
| 10 | 3s | 7.509278 | .00141317 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573881 | < 1/R**2 > | 428.621161 |
Total Energy= -340.37069949 a.u.
Kinetic Energy= 340.37302038 a.u.
Potential Energy= -680.74371987 a.u.
Virial Ratio = -1.99999318