(1s 2 2s 2 2p 1 3d 1 ) 1 D F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 1.454192 | .87845651 |
| 2 | 4d | 8.175612 | -.00092451 |
| 3 | 3d | 3.432469 | .06267727 |
| 4 | 4d | 1.350847 | .06657285 |
| 5 | 5d | 3.162815 | .03102123 |
| ORB.ENERGY,a.u. | -.952220 | ||
| NORM | 1.000000 | < R > | 2.367734 | < R2 > | 6.498219 | < 1/R > | .502946 | < 1/R**2 > | .312802 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.046074 | .86436429 |
| 2 | 2p | 4.903329 | .15157067 |
| 3 | 2p | 10.522021 | .00767673 |
| 4 | 3p | 4.187216 | -.01180815 |
| 5 | 4p | 2.543266 | .01705847 |
| 6 | 4p | 15.361399 | -.00065518 |
| ORB.ENERGY,a.u. | -3.707100 | ||
| NORM | 1.000000 | < R > | .775191 | < R2 > | .735912 | < 1/R > | 1.652762 | < 1/R**2 > | 3.757930 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.999242 | .31177178 |
| 2 | 2s | 2.985370 | -.79011309 |
| 3 | 3s | 4.515138 | -.27757591 |
| 4 | 4s | 15.326179 | .00421236 |
| 5 | 5s | 8.619694 | -.01392758 |
| 6 | 5s | 6.166061 | .01668021 |
| 7 | 4s | 30.568361 | .00013953 |
| 8 | 4s | 3.607089 | .00483689 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .846881 | < R2 > | .844307 | < 1/R > | 1.705364 | < 1/R**2 > | 11.791486 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.302142 | .00123783 |
| 2 | 1s | 8.053525 | .85111626 |
| 3 | 1s | 12.612370 | .14432414 |
| 4 | 2s | 11.023433 | .02092389 |
| 5 | 3s | 9.790703 | -.01583610 |
| 6 | 4s | 15.732341 | .00476617 |
| 7 | 5s | 28.593462 | .00028913 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174815 | < R2 > | .041057 | < 1/R > | 8.657999 | < 1/R**2 > | 151.565251 |
Total Energy= -93.05390327 a.u.
Kinetic Energy= 93.07906501 a.u.
Potential Energy= -186.13296828 a.u.
Virial Ratio = -1.99972967