(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 2 F P 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 | .244514 | 1.76409127 |
| 2 | 4d | .205273 | -5.77427579 |
| 3 | 5d | .201395 | 4.74088163 |
| 4 | 3d | .837225 | .22856958 |
| 5 | 4d | 1.075720 | -.32539541 |
| 6 | 5d | 1.305345 | .12678843 |
| 7 | 3d | 5.054985 | .00101241 |
| ORB.ENERGY,a.u. | -.147280 | ||
| NORM | 1.000039 | < R > | 33.859169 | < R2 > | 1303.371823 | < 1/R > | .041663 | < 1/R**2 > | .003828 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.103526 | .26476772 |
| 2 | 2p | 1.079554 | -.87870082 |
| 3 | 3p | 1.982582 | -.29141018 |
| 4 | 2p | 8.137143 | .08495860 |
| 5 | 4p | 1.212994 | .12195963 |
| 6 | 3p | 12.473160 | -.00432660 |
| 7 | 4p | 30.154713 | -.00013324 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.131137 | < R2 > | 5.293915 | < 1/R > | .618748 | < 1/R**2 > | .843891 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.350677 | -.17732205 |
| 2 | 1s | 10.702527 | .17030830 |
| 3 | 1s | 41.213549 | .00023297 |
| 4 | 2s | 4.747642 | -.24274339 |
| 5 | 3s | 1.913874 | .83932574 |
| 6 | 4s | 3.412143 | .19453331 |
| 7 | 3s | 29.292885 | -.00058181 |
| 8 | 5s | 1.726046 | .06459582 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.847863 | < R2 > | 3.935029 | < 1/R > | .725052 | < 1/R**2 > | 2.970108 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372555 | .42811098 |
| 2 | 3p | 6.500508 | .49499949 |
| 3 | 2p | 20.147877 | .00249411 |
| 4 | 4p | 5.240267 | .18069509 |
| 5 | 5p | 4.033443 | .01286575 |
| 6 | 3p | 38.476102 | .00006513 |
| 7 | 4p | 81.802430 | -.00000233 |
| 8 | 3p | 1.596993 | .00090656 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483352 | < R2 > | .291761 | < 1/R > | 2.706622 | < 1/R**2 > | 10.286584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194574 | .35988287 |
| 2 | 2s | 5.437910 | -.77666789 |
| 3 | 3s | 4.856860 | -.17146431 |
| 4 | 4s | 23.632314 | .00226677 |
| 5 | 2s | 6.760203 | -.17609764 |
| 6 | 3s | 15.375323 | .00817229 |
| 7 | 5s | 4.031094 | -.00308755 |
| 8 | 4s | 1.916709 | -.00025065 |
| 9 | 5s | 48.232413 | .00005418 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515313 | < R2 > | .315435 | < 1/R > | 2.833494 | < 1/R**2 > | 33.095121 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.413209 | -.00021586 |
| 2 | 1s | 14.570410 | 1.01425895 |
| 3 | 2s | 21.105407 | -.02188139 |
| 4 | 3s | 11.321553 | .01689844 |
| 5 | 4s | 20.111786 | -.00094963 |
| 6 | 5s | 17.686546 | .00342819 |
| 7 | 5s | 62.466672 | -.00003186 |
| 8 | 4s | 12.074594 | -.00660207 |
| 9 | 2s | 54.221866 | .00013073 |
| 10 | 3s | 7.509507 | .00141307 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573872 | < 1/R**2 > | 428.620747 |
Total Energy= -340.37088053 a.u.
Kinetic Energy= 340.37009150 a.u.
Potential Energy= -680.74097203 a.u.
Virial Ratio = -2.00000232