(1s 2 2s 2 2p 2 5d 1 ) 4 F F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | .785577 | 1.45492279 |
| 2 | 4d | .710601 | -3.26704285 |
| 3 | 5d | .587770 | 2.50237863 |
| 4 | 3d | 2.935466 | .03940087 |
| 5 | 4d | .357884 | -.13229033 |
| 6 | 5d | 2.510931 | .03025441 |
| 7 | 5d | .352916 | .04793280 |
| 8 | 4d | 19.151306 | .00001934 |
| ORB.ENERGY,a.u. | -.188070 | ||
| NORM | .999997 | < R > | 10.925982 | < R2 > | 135.952542 | < 1/R > | .130615 | < 1/R**2 > | .038193 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.849345 | .81745085 |
| 2 | 2p | 4.817690 | .18101892 |
| 3 | 2p | 10.516704 | .00763859 |
| 4 | 3p | 1.866709 | .05053863 |
| 5 | 4p | 1.742267 | -.03204899 |
| 6 | 5p | 20.522462 | -.00023341 |
| 7 | 5p | 1.762098 | .00995371 |
| ORB.ENERGY,a.u. | -3.046800 | ||
| NORM | 1.000000 | < R > | .818363 | < R2 > | .824342 | < 1/R > | 1.576479 | < 1/R**2 > | 3.448909 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.460698 | .33180411 |
| 2 | 2s | 3.416965 | -.85028159 |
| 3 | 3s | 3.105485 | -.25825716 |
| 4 | 4s | 10.489507 | .01604872 |
| 5 | 3s | 12.119180 | .01088134 |
| 6 | 5s | 3.225923 | -.01370549 |
| 7 | 5s | 33.827347 | -.00013172 |
| 8 | 2s | 43.164842 | .00002951 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880690 | < R2 > | .916839 | < 1/R > | 1.636778 | < 1/R**2 > | 10.908132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.279014 | .68784717 |
| 2 | 1s | 12.186130 | .22288408 |
| 3 | 1s | 2.703452 | .00560560 |
| 4 | 2s | 9.054094 | .12773455 |
| 5 | 3s | 10.140655 | -.02749362 |
| 6 | 4s | 16.989543 | .00345278 |
| 7 | 5s | 4.837397 | -.00124309 |
| 8 | 5s | 54.657744 | -.00002820 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175223 | < R2 > | .041295 | < 1/R > | 8.645524 | < 1/R**2 > | 151.231587 |
Total Energy= -95.50515488 a.u.
Kinetic Energy= 95.50768802 a.u.
Potential Energy= -191.01284290 a.u.
Virial Ratio = -1.99997348