(1s 2 2s 1 3d 1 ) 3 D N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 1.408005 | .95273334 |
| 2 | 3d | 4.654682 | .00643511 |
| 3 | 4d | 3.400292 | .02656064 |
| 4 | 5d | 1.402532 | .04374779 |
| 5 | 5d | 9.387261 | -.00054379 |
| 6 | 4d | 1.147945 | -.00909658 |
| ORB.ENERGY,a.u. | -.919590 | ||
| NORM | 1.000000 | < R > | 2.490783 | < R2 > | 7.138849 | < 1/R > | .472759 | < 1/R**2 > | .271605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.861582 | .34709171 |
| 2 | 2s | 2.645062 | -.86204364 |
| 3 | 3s | 3.197086 | -.24085413 |
| 4 | 4s | 7.630363 | .02426099 |
| 5 | 3s | 8.363264 | .02065545 |
| 6 | 5s | 2.655386 | -.02787262 |
| 7 | 4s | 2.265755 | .01022676 |
| 8 | 5s | 31.139974 | -.00011703 |
| 9 | 2s | 55.775456 | .00000616 |
| ORB.ENERGY,a.u. | -3.122700 | ||
| NORM | 1.000000 | < R > | 1.065063 | < R2 > | 1.326800 | < 1/R > | 1.353452 | < 1/R**2 > | 7.398178 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.275667 | .89418325 |
| 2 | 1s | 9.973671 | .11324439 |
| 3 | 2s | 3.805550 | .02318517 |
| 4 | 3s | 6.494270 | -.02420417 |
| 5 | 4s | 12.334126 | .00437763 |
| 6 | 5s | 5.491530 | -.00684677 |
| 7 | 5s | 43.392531 | -.00005714 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .226928 | < R2 > | .069232 | < 1/R > | 6.678535 | < 1/R**2 > | 90.371017 |
Total Energy= -49.33006481 a.u.
Kinetic Energy= 49.24644319 a.u.
Potential Energy= -98.57650800 a.u.
Virial Ratio = -2.00169802