(1s 2 2s 2 2p 1 5d 1 ) 1 F P 9+
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 | 1.987450 | 3.57443263 |
2 | 4d | 2.002681 | -8.99678763 |
3 | 5d | 2.013165 | 6.08097675 |
4 | 3d | 5.745233 | .02931906 |
5 | 5d | 8.624803 | -.00968245 |
6 | 5d | 1.682070 | .02266982 |
7 | 4d | 19.325841 | .00024685 |
8 | 5d | 42.598671 | .00002142 |
9 | 3d | 33.922286 | .00002462 |
ORB.ENERGY,a.u. | -2.013600 |
NORM | 1.000000 | < R > | 3.419778 | < R2 > | 13.284508 | < 1/R > | .407359 | < 1/R**2 > | .340606 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.162538 | 1.08467261 |
2 | 3p | 7.593922 | -.10033763 |
3 | 2p | 14.514480 | .01545391 |
4 | 5p | 16.810156 | .00301881 |
5 | 4p | 31.294131 | -.00042499 |
6 | 5p | 4.893203 | .00215102 |
7 | 5p | 101.016889 | -.00000645 |
8 | 4p | 1.510070 | -.00023374 |
ORB.ENERGY,a.u. | -17.167000 |
NORM | 1.000000 | < R > | .396582 | < R2 > | .190418 | < 1/R > | 3.187727 | < 1/R**2 > | 13.752474 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 12.936807 | .37340461 |
2 | 2s | 5.674874 | -.80873341 |
3 | 3s | 8.188765 | -.28227071 |
4 | 4s | 28.126008 | .00135938 |
5 | 5s | 15.954217 | -.01071337 |
6 | 5s | 6.259333 | .01641695 |
ORB.ENERGY,a.u. | -16.877000 |
NORM | 1.000000 | < R > | .456524 | < R2 > | .243867 | < 1/R > | 3.212086 | < 1/R**2 > | 41.730694 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 14.165597 | .93103448 |
2 | 1s | 21.897761 | .06856656 |
3 | 2s | 13.074766 | .01918968 |
4 | 3s | 16.079543 | -.01652887 |
5 | 4s | 73.807768 | -.00006481 |
6 | 5s | 34.547404 | .00078559 |
7 | 4s | 7.957443 | .00008223 |
ORB.ENERGY,a.u. | -92.406000 |
NORM | 1.000000 | < R > | .102968 | < R2 > | .014203 | < 1/R > | 14.648340 | < 1/R**2 > | 432.014022 |
Total Energy= -278.13977043 a.u.
Kinetic Energy= 278.10897734 a.u.
Potential Energy= -556.24874778 a.u.
Virial Ratio = -2.00011072