(1s 2 2s 2 2p 1 5d 1 ) 1 F F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | .973740 | 1.86877556 |
| 2 | 4d | .872995 | -4.32645920 |
| 3 | 5d | .772075 | 3.28693629 |
| 4 | 3d | 4.757664 | .00664160 |
| 5 | 4d | .534454 | -.16938735 |
| 6 | 5d | 2.424589 | -.01236045 |
| 7 | 5d | 11.580809 | -.00045692 |
| 8 | 5d | .479749 | .02533962 |
| 9 | 4d | 19.099552 | -.00005732 |
| ORB.ENERGY,a.u. | -.320670 | ||
| NORM | 1.000001 | < R > | 8.588780 | < R2 > | 83.803077 | < 1/R > | .162332 | < 1/R**2 > | .054259 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.054519 | .85780307 |
| 2 | 2p | 4.927487 | .15502168 |
| 3 | 2p | 10.535348 | .00776556 |
| 4 | 3p | 1.680027 | .00289054 |
| 5 | 4p | .453031 | -.00020344 |
| 6 | 4p | 15.403514 | -.00062247 |
| ORB.ENERGY,a.u. | -4.002100 | ||
| NORM | 1.000000 | < R > | .764818 | < R2 > | .713672 | < 1/R > | 1.669532 | < 1/R**2 > | 3.823172 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.079994 | .30812375 |
| 2 | 2s | 2.900306 | -.78570384 |
| 3 | 3s | 4.666243 | -.27035080 |
| 4 | 4s | 16.587845 | .00229556 |
| 5 | 5s | 9.213737 | -.01777441 |
| 6 | 5s | 3.315441 | .03024043 |
| 7 | 4s | 35.808475 | .00003498 |
| 8 | 4s | 2.986415 | -.00696303 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .843557 | < R2 > | .836564 | < 1/R > | 1.711168 | < 1/R**2 > | 11.864097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.687229 | .00074961 |
| 2 | 1s | 8.047640 | .85169814 |
| 3 | 1s | 12.611606 | .14458481 |
| 4 | 2s | 10.963913 | .02092520 |
| 5 | 3s | 9.812824 | -.01583217 |
| 6 | 4s | 16.057894 | .00437603 |
| 7 | 5s | 27.488967 | .00022170 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174827 | < R2 > | .041063 | < 1/R > | 8.657578 | < 1/R**2 > | 151.553471 |
Total Energy= -92.45622532 a.u.
Kinetic Energy= 92.44744272 a.u.
Potential Energy= -184.90366805 a.u.
Virial Ratio = -2.00009500