(1s 2 2s 2 2p 2 4d 1 ) 2 P N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 4d- electron | |
| 1 | 3d | .300358 | 1.31197736 |
| 2 | 4d | .248147 | -1.74385081 |
| 3 | 3d | 1.407872 | .00749199 |
| 4 | 5d | .573995 | -.04354952 |
| 5 | 4d | 3.595886 | .00120307 |
| 6 | 5d | 9.514699 | .00007339 |
| 7 | 3d | 9.726396 | .00002307 |
| ORB.ENERGY,a.u. | -.031825 | ||
| NORM | .999993 | < R > | 20.536169 | < R2 > | 483.176053 | < 1/R > | .064649 | < 1/R**2 > | .006911 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.741877 | .72375816 |
| 2 | 2p | 2.987877 | .28974248 |
| 3 | 2p | 6.984734 | .01534156 |
| 4 | 3p | 1.065161 | .02235123 |
| 5 | 5p | 5.275025 | -.00103946 |
| 6 | 2p | 5.555532 | .00463904 |
| 7 | 5p | 8.327214 | .00364145 |
| 8 | 5p | 1.185374 | -.00709161 |
| ORB.ENERGY,a.u. | -.972350 | ||
| NORM | 1.000000 | < R > | 1.243965 | < R2 > | 1.933499 | < 1/R > | 1.055781 | < 1/R**2 > | 1.580055 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.901759 | .28595796 |
| 2 | 2s | 2.450682 | -.83297451 |
| 3 | 3s | 1.982930 | -.26777042 |
| 4 | 4s | 8.403306 | .02217218 |
| 5 | 3s | 10.343905 | .00662441 |
| 6 | 5s | 2.793164 | -.01249191 |
| 7 | 5s | 16.586926 | .00089858 |
| 8 | 3s | .882545 | -.00041295 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252868 | < R2 > | 1.874378 | < 1/R > | 1.140831 | < 1/R**2 > | 5.286891 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229932 | .71796088 |
| 2 | 1s | 9.301796 | .22518165 |
| 3 | 1s | 2.639478 | .00476815 |
| 4 | 2s | 6.904454 | .08341499 |
| 5 | 3s | 7.783466 | -.02156245 |
| 6 | 4s | 12.686559 | .00691095 |
| 7 | 5s | 28.157109 | .00016994 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228084 | < R2 > | .070094 | < 1/R > | 6.656731 | < 1/R**2 > | 89.911055 |
Total Energy= -53.91987051 a.u.
Kinetic Energy= 53.91983450 a.u.
Potential Energy= -107.83970501 a.u.
Virial Ratio = -2.00000067