(1s 2 2s 2 2p 1 5d 1 ) 3 F C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | .240259 | 1.88402814 |
| 2 | 4d | .192637 | -8.09092775 |
| 3 | 5d | .201090 | 6.79184855 |
| 4 | 3d | 1.285068 | .01650019 |
| 5 | 4d | .164436 | .24743686 |
| 6 | 5d | .920897 | .01496042 |
| 7 | 4d | 3.414923 | .00113179 |
| 8 | 5d | 12.739932 | .00004456 |
| ORB.ENERGY,a.u. | -.020257 | ||
| NORM | 1.000035 | < R > | 33.924030 | < R2 > | 1309.063373 | < 1/R > | .041588 | < 1/R**2 > | .003740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.590192 | .81214217 |
| 2 | 2p | 2.565048 | .23023699 |
| 3 | 2p | 6.550895 | .01050827 |
| 4 | 3p | 2.709039 | -.05075152 |
| 5 | 4p | 1.484967 | .04332287 |
| 6 | 4p | 10.380188 | -.00059430 |
| ORB.ENERGY,a.u. | -.822110 | ||
| NORM | 1.000000 | < R > | 1.472947 | < R2 > | 2.691260 | < 1/R > | .884969 | < 1/R**2 > | 1.102851 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579922 | .24033637 |
| 2 | 2s | 1.552774 | -.76081373 |
| 3 | 3s | 2.862482 | -.27236710 |
| 4 | 4s | 11.702936 | .00197473 |
| 5 | 5s | 5.912040 | -.02894641 |
| 6 | 5s | 1.868299 | .02765640 |
| 7 | 2s | 39.004226 | -.00000309 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475643 | < R2 > | 2.589916 | < 1/R > | .961117 | < 1/R**2 > | 3.715938 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212912 | .71612207 |
| 2 | 1s | 8.201032 | .22613010 |
| 3 | 1s | 2.377749 | .00349980 |
| 4 | 2s | 6.451016 | .08054991 |
| 5 | 3s | 6.780155 | -.01401924 |
| 6 | 4s | 10.925919 | .00564988 |
| 7 | 5s | 42.308136 | -.00002672 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268103 | < R2 > | .096880 | < 1/R > | 5.668490 | < 1/R**2 > | 65.302573 |
Total Energy= -37.31262180 a.u.
Kinetic Energy= 37.31248342 a.u.
Potential Energy= -74.62510522 a.u.
Virial Ratio = -2.00000371