(1s 2 2s 2 2p 1 3d 1 ) 1 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3.402849 | .95979394 |
| 2 | 3d | 7.990038 | .01942282 |
| 3 | 4d | 2.948808 | .03959873 |
| 4 | 5d | 15.218338 | .00054616 |
| 5 | 5d | 2.656946 | -.00964753 |
| 6 | 4d | 40.217651 | .00002417 |
| 7 | 4d | 1.950733 | .00233778 |
| ORB.ENERGY,a.u. | -5.591600 | ||
| NORM | 1.000000 | < R > | 1.031352 | < R2 > | 1.220815 | < 1/R > | 1.138876 | < 1/R**2 > | 1.573446 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.183969 | 1.08216889 |
| 2 | 3p | 7.444600 | -.09696487 |
| 3 | 2p | 14.582736 | .01499804 |
| 4 | 5p | 16.715730 | .00104190 |
| 5 | 4p | 28.220155 | -.00087673 |
| 6 | 5p | 6.136499 | .00797841 |
| 7 | 5p | 84.344488 | -.00001971 |
| 8 | 4p | 5.035624 | -.00405235 |
| ORB.ENERGY,a.u. | -16.309000 | ||
| NORM | 1.000000 | < R > | .395370 | < R2 > | .189197 | < 1/R > | 3.196299 | < 1/R**2 > | 13.820107 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.964253 | .37095617 |
| 2 | 2s | 5.643263 | -.80672547 |
| 3 | 3s | 8.226101 | -.28072989 |
| 4 | 4s | 28.256467 | .00124278 |
| 5 | 5s | 16.012177 | -.01109544 |
| 6 | 5s | 6.307406 | .01319864 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .458185 | < R2 > | .245861 | < 1/R > | 3.200917 | < 1/R**2 > | 41.467096 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.168203 | .93139240 |
| 2 | 1s | 21.884954 | .06830177 |
| 3 | 2s | 12.963154 | .01899097 |
| 4 | 3s | 16.025011 | -.01640690 |
| 5 | 4s | 74.081326 | -.00006461 |
| 6 | 5s | 34.460257 | .00079100 |
| 7 | 4s | 7.335192 | .00007265 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102970 | < R2 > | .014204 | < 1/R > | 14.648175 | < 1/R**2 > | 432.007161 |
Total Energy= -281.83867279 a.u.
Kinetic Energy= 281.68662519 a.u.
Potential Energy= -563.52529798 a.u.
Virial Ratio = -2.00053978