(1s 2 2s 2 2p 2 3d 1 ) 4 D P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 3.113750 | 1.09289467 |
| 2 | 3d | 6.706828 | .05017168 |
| 3 | 4d | 3.559526 | -.12597894 |
| 4 | 5d | 22.706779 | -.00026406 |
| 5 | 5d | 2.951693 | -.00189463 |
| ORB.ENERGY,a.u. | -4.718700 | ||
| NORM | 1.000000 | < R > | 1.078383 | < R2 > | 1.344297 | < 1/R > | 1.099238 | < 1/R**2 > | 1.482443 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.717668 | 1.19592838 |
| 2 | 3p | 6.709625 | -.22171562 |
| 3 | 2p | 14.319085 | .02040474 |
| 4 | 4p | 15.734593 | .00450934 |
| 5 | 5p | 32.638854 | -.00028803 |
| 6 | 5p | 4.533996 | .00208678 |
| ORB.ENERGY,a.u. | -14.501000 | ||
| NORM | 1.000000 | < R > | .412503 | < R2 > | .207212 | < 1/R > | 3.083848 | < 1/R**2 > | 12.956804 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.922587 | .41052446 |
| 2 | 2s | 6.448388 | -.85374278 |
| 3 | 3s | 6.562547 | -.28083075 |
| 4 | 4s | 24.778242 | .00216245 |
| 5 | 3s | 14.395873 | .01593769 |
| 6 | 5s | 6.426212 | -.02787548 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .468778 | < R2 > | .257912 | < 1/R > | 3.124066 | < 1/R**2 > | 39.650857 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110517 | .92170616 |
| 2 | 1s | 21.589419 | .07718948 |
| 3 | 2s | 13.481119 | .01931546 |
| 4 | 3s | 16.734057 | -.01553500 |
| 5 | 5s | 35.680194 | .00099061 |
| 6 | 4s | 86.654304 | -.00003331 |
| 7 | 5s | 11.435614 | .00053809 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103180 | < R2 > | .014274 | < 1/R > | 14.628984 | < 1/R**2 > | 431.127853 |
Total Energy= -296.38453112 a.u.
Kinetic Energy= 296.41407636 a.u.
Potential Energy= -592.79860748 a.u.
Virial Ratio = -1.99990032