(1s 2 2s 2 2p 1 4d 1 ) 1 D O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | .908872 | 1.13153513 |
| 2 | 4d | .767684 | -1.69403008 |
| 3 | 3d | 1.813673 | .11696605 |
| 4 | 5d | 2.705617 | -.02698508 |
| 5 | 4d | 5.259216 | .00480846 |
| 6 | 5d | 12.301597 | .00002540 |
| 7 | 3d | 8.203110 | .00054728 |
| ORB.ENERGY,a.u. | -.297130 | ||
| NORM | .999998 | < R > | 6.544888 | < R2 > | 49.256023 | < 1/R > | .206306 | < 1/R**2 > | .073051 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.636481 | .81541991 |
| 2 | 2p | 4.015014 | .19010697 |
| 3 | 2p | 9.808966 | .00581370 |
| 4 | 3p | 4.821629 | -.02738345 |
| 5 | 4p | 2.726201 | .04629132 |
| 6 | 4p | 12.869078 | -.00084464 |
| 7 | 5p | 1.314694 | -.00246483 |
| 8 | 3p | 1.285557 | .00445605 |
| ORB.ENERGY,a.u. | -2.619100 | ||
| NORM | 1.000000 | < R > | .912336 | < R2 > | 1.019735 | < 1/R > | 1.406727 | < 1/R**2 > | 2.731516 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.290105 | .28772158 |
| 2 | 2s | 2.414706 | -.76625095 |
| 3 | 3s | 4.080634 | -.28638744 |
| 4 | 4s | 13.943224 | .00118899 |
| 5 | 5s | 8.254905 | -.02045691 |
| 6 | 5s | 2.814867 | .03102167 |
| 7 | 4s | 16.675362 | .00073522 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .984125 | < R2 > | 1.141385 | < 1/R > | 1.459911 | < 1/R**2 > | 8.630685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.355818 | .73318009 |
| 2 | 1s | 10.722149 | .19845201 |
| 3 | 1s | 3.584640 | .00389892 |
| 4 | 2s | 7.715010 | .09867483 |
| 5 | 3s | 8.676956 | -.02316034 |
| 6 | 4s | 14.548848 | .00528278 |
| 7 | 5s | 28.253776 | .00015072 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197786 | < R2 > | .052601 | < 1/R > | 7.660539 | < 1/R**2 > | 118.810053 |
Total Energy= -71.38619264 a.u.
Kinetic Energy= 71.39184936 a.u.
Potential Energy= -142.77804200 a.u.
Virial Ratio = -1.99992077