(1s 2 2s 2 2p 1 5d 1 ) 3 D F 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 | 1.032108 | 1.51222693 |
| 2 | 4d | .901073 | -3.73167898 |
| 3 | 5d | .787905 | 2.99706928 |
| 4 | 3d | 3.563751 | .02365745 |
| 5 | 4d | .614044 | -.13140281 |
| 6 | 5d | 3.108921 | .01885332 |
| 7 | 4d | 7.850832 | -.00053390 |
| ORB.ENERGY,a.u. | -.329060 | ||
| NORM | 1.000003 | < R > | 8.356771 | < R2 > | 79.369703 | < 1/R > | .167899 | < 1/R**2 > | .059638 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.085958 | .88648076 |
| 2 | 2p | 5.094673 | .13054331 |
| 3 | 2p | 10.684868 | .00700052 |
| 4 | 3p | 3.834393 | -.00893302 |
| 5 | 4p | 2.739423 | .00883020 |
| 6 | 4p | 15.150057 | -.00074656 |
| ORB.ENERGY,a.u. | -4.010500 | ||
| NORM | 1.000000 | < R > | .766085 | < R2 > | .716195 | < 1/R > | 1.667254 | < 1/R**2 > | 3.813978 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.063343 | .30905716 |
| 2 | 2s | 2.918898 | -.78549145 |
| 3 | 3s | 4.676462 | -.27192626 |
| 4 | 4s | 15.250438 | .00335499 |
| 5 | 5s | 9.306148 | -.01389839 |
| 6 | 5s | 3.156668 | .02480959 |
| 7 | 4s | 27.630913 | .00015584 |
| 8 | 4s | 2.547785 | -.00653853 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .843601 | < R2 > | .836658 | < 1/R > | 1.711076 | < 1/R**2 > | 11.862821 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.338989 | .00123867 |
| 2 | 1s | 8.053430 | .85115688 |
| 3 | 1s | 12.612683 | .14427972 |
| 4 | 2s | 11.019371 | .02091474 |
| 5 | 3s | 9.807225 | -.01581505 |
| 6 | 4s | 15.752881 | .00477838 |
| 7 | 5s | 28.691432 | .00028244 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174825 | < R2 > | .041062 | < 1/R > | 8.657631 | < 1/R**2 > | 151.554903 |
Total Energy= -92.45702578 a.u.
Kinetic Energy= 92.45582798 a.u.
Potential Energy= -184.91285377 a.u.
Virial Ratio = -2.00001296