(1s 2 2s 1 4d 1 ) 1 D N 3+
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 | .997788 | 2.12057547 |
| 2 | 4d | .995632 | -2.65243535 |
| 3 | 5d | 6.038241 | .00332421 |
| 4 | 3d | 5.112913 | .00322697 |
| 5 | 5d | .874280 | .02618262 |
| 6 | 3d | .616116 | -.01419000 |
| ORB.ENERGY,a.u. | -.499140 | ||
| NORM | .999997 | < R > | 5.247147 | < R2 > | 31.525041 | < 1/R > | .251746 | < 1/R**2 > | .102699 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.898306 | .34782399 |
| 2 | 2s | 2.650163 | -.85161039 |
| 3 | 3s | 3.146586 | -.23774107 |
| 4 | 4s | 7.718633 | .01915611 |
| 5 | 3s | 8.627793 | .01935165 |
| 6 | 5s | 5.489160 | -.01702155 |
| 7 | 5s | 2.287956 | -.00261324 |
| 8 | 5s | 25.386753 | -.00014129 |
| 9 | 2s | 30.392396 | .00004866 |
| ORB.ENERGY,a.u. | -3.310300 | ||
| NORM | 1.000000 | < R > | 1.053833 | < R2 > | 1.296237 | < 1/R > | 1.368239 | < 1/R**2 > | 7.556016 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.273761 | .89327741 |
| 2 | 1s | 9.958884 | .11412668 |
| 3 | 2s | 3.749459 | .02365982 |
| 4 | 3s | 6.427121 | -.02444635 |
| 5 | 4s | 12.330933 | .00430975 |
| 6 | 5s | 5.404725 | -.00698311 |
| 7 | 5s | 43.443301 | -.00005846 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .226947 | < R2 > | .069248 | < 1/R > | 6.678185 | < 1/R**2 > | 90.363608 |
Total Energy= -48.86732122 a.u.
Kinetic Energy= 48.82597049 a.u.
Potential Energy= -97.69329171 a.u.
Virial Ratio = -2.00084690