(1s 2 2s 1 5d 1 ) 3 D N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | .930618 | 2.06631512 |
| 2 | 4d | .878511 | -4.91362117 |
| 3 | 5d | .798874 | 3.42198193 |
| 4 | 3d | 2.853580 | .02643475 |
| 5 | 4d | .837473 | .05079488 |
| 6 | 5d | 2.671441 | .01539544 |
| 7 | 4d | 6.365817 | -.00116927 |
| ORB.ENERGY,a.u. | -.326700 | ||
| NORM | 1.000009 | < R > | 8.431026 | < R2 > | 80.684336 | < 1/R > | .164989 | < 1/R**2 > | .056182 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.920007 | .34544532 |
| 2 | 2s | 2.634644 | -.85100900 |
| 3 | 3s | 3.165202 | -.23670012 |
| 4 | 4s | 7.632350 | .01880649 |
| 5 | 3s | 8.668089 | .01969304 |
| 6 | 5s | 5.578181 | -.01660720 |
| 7 | 4s | 3.185415 | -.00121869 |
| 8 | 5s | 23.819506 | -.00018436 |
| 9 | 2s | 28.566647 | .00006928 |
| ORB.ENERGY,a.u. | -3.419300 | ||
| NORM | 1.000000 | < R > | 1.054278 | < R2 > | 1.296857 | < 1/R > | 1.366907 | < 1/R**2 > | 7.537928 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.286625 | .88787138 |
| 2 | 1s | 9.871016 | .11701032 |
| 3 | 2s | 4.283965 | .02046124 |
| 4 | 3s | 5.588181 | -.02746037 |
| 5 | 4s | 6.442862 | .00592343 |
| 6 | 5s | 16.180298 | .00222702 |
| 7 | 5s | 43.733638 | -.00006454 |
| 8 | 3s | 40.156813 | -.00004627 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .226938 | < R2 > | .069239 | < 1/R > | 6.678336 | < 1/R**2 > | 90.366576 |
Total Energy= -48.66866281 a.u.
Kinetic Energy= 48.65353403 a.u.
Potential Energy= -97.32219684 a.u.
Virial Ratio = -2.00031095