(1s 2 2s 2 2p 3 3d 1 ) 5 D S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5232.
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 | 3.163476 | 1.11554276 |
| 2 | 3d | 7.100421 | .04766648 |
| 3 | 4d | 3.715333 | -.14647047 |
| 4 | 5d | 23.234041 | -.00016167 |
| 5 | 5d | 1.681722 | .00008024 |
| 6 | 4d | 51.827617 | .00000542 |
| ORB.ENERGY,a.u. | -4.767200 | ||
| NORM | 1.000000 | < R > | 1.065463 | < R2 > | 1.313961 | < 1/R > | 1.114735 | < 1/R**2 > | 1.529137 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.221476 | 1.31211133 |
| 2 | 3p | 8.002308 | -.38407292 |
| 3 | 4p | 10.007990 | .06845499 |
| 4 | 5p | 5.667319 | .00950398 |
| 5 | 4p | 26.356578 | -.00191080 |
| 6 | 3p | 34.641259 | -.00027467 |
| 7 | 4p | 5.749500 | -.00485666 |
| ORB.ENERGY,a.u. | -15.387000 | ||
| NORM | 1.000000 | < R > | .392028 | < R2 > | .187527 | < 1/R > | 3.252945 | < 1/R**2 > | 14.458167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.653904 | .40980773 |
| 2 | 2s | 6.880659 | -.86136364 |
| 3 | 3s | 6.575977 | -.28945094 |
| 4 | 4s | 26.957418 | .00190298 |
| 5 | 3s | 15.049134 | .01557999 |
| 6 | 5s | 6.421114 | -.01356348 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .444152 | < R2 > | .231878 | < 1/R > | 3.298142 | < 1/R**2 > | 44.321792 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.177078 | .93715858 |
| 2 | 1s | 23.607254 | .06078512 |
| 3 | 2s | 13.693964 | .01847305 |
| 4 | 3s | 19.157483 | -.01478187 |
| 5 | 4s | 29.434341 | .00271578 |
| 6 | 5s | 54.930773 | .00008541 |
| 7 | 5s | 11.514262 | .00058931 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096729 | < R2 > | .012551 | < 1/R > | 15.609245 | < 1/R**2 > | 490.887061 |
Total Energy= -356.11023432 a.u.
Kinetic Energy= 356.17173193 a.u.
Potential Energy= -712.28196625 a.u.
Virial Ratio = -1.99982734