(1s 2 2s 2 2p 1 3d 1 ) 1 D C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | .384986 | .71880929 |
| 2 | 3d | 1.421678 | .02093372 |
| 3 | 4d | .353974 | .28930581 |
| 4 | 5d | 1.121507 | .01680657 |
| 5 | 5d | 4.700283 | .00060295 |
| 6 | 4d | 8.828926 | .00008300 |
| ORB.ENERGY,a.u. | -.057674 | ||
| NORM | 1.000000 | < R > | 9.928689 | < R2 > | 113.658039 | < 1/R > | .119342 | < 1/R**2 > | .017623 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.557448 | .82496933 |
| 2 | 2p | 2.614170 | .22060541 |
| 3 | 2p | 6.356651 | .01197138 |
| 4 | 3p | 2.533710 | -.03761718 |
| 5 | 4p | 1.270769 | .03519601 |
| 6 | 4p | 10.744103 | -.00066160 |
| 7 | 5p | .792265 | .00595761 |
| 8 | 3p | .727466 | -.01425852 |
| ORB.ENERGY,a.u. | -.712850 | ||
| NORM | 1.000000 | < R > | 1.476771 | < R2 > | 2.707988 | < 1/R > | .883375 | < 1/R**2 > | 1.099564 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.582136 | .24018756 |
| 2 | 2s | 1.538803 | -.77071829 |
| 3 | 3s | 2.890520 | -.27157439 |
| 4 | 4s | 11.393882 | .00219868 |
| 5 | 5s | 5.907938 | -.02714846 |
| 6 | 5s | 1.894270 | .03687331 |
| 7 | 2s | 27.886769 | -.00000843 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475880 | < R2 > | 2.591175 | < 1/R > | .961063 | < 1/R**2 > | 3.715755 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212983 | .71612224 |
| 2 | 1s | 8.200481 | .22615176 |
| 3 | 1s | 2.376073 | .00348545 |
| 4 | 2s | 6.450120 | .08054035 |
| 5 | 3s | 6.778312 | -.01402336 |
| 6 | 4s | 10.925539 | .00565038 |
| 7 | 5s | 42.318159 | -.00002673 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268100 | < R2 > | .096877 | < 1/R > | 5.668529 | < 1/R**2 > | 65.303269 |
Total Energy= -37.34896807 a.u.
Kinetic Energy= 37.34989858 a.u.
Potential Energy= -74.69886665 a.u.
Virial Ratio = -1.99997509