(1s 2 2s 2 2p 4 5d 1 ) 4 D S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 2.317562 | 1.03171889 |
| 2 | 4d | 1.618725 | -4.96716418 |
| 3 | 5d | 1.631080 | 4.69657493 |
| 4 | 3d | 5.259688 | .07067385 |
| 5 | 5d | 7.957937 | -.01360528 |
| 6 | 4d | 18.641700 | .00024860 |
| 7 | 5d | 1.283242 | -.01689829 |
| 8 | 3d | 24.875390 | .00006482 |
| ORB.ENERGY,a.u. | -1.337200 | ||
| NORM | 1.000000 | < R > | 4.108217 | < R2 > | 19.182347 | < 1/R > | .342791 | < 1/R**2 > | .253674 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.573125 | 1.14687660 |
| 2 | 3p | 6.356979 | -.22483199 |
| 3 | 2p | 12.072384 | .07480130 |
| 4 | 4p | 14.187658 | .01282597 |
| 5 | 5p | 39.785685 | -.00013174 |
| 6 | 5p | 5.419451 | -.00159835 |
| ORB.ENERGY,a.u. | -13.524000 | ||
| NORM | 1.000000 | < R > | .404864 | < R2 > | .200743 | < 1/R > | 3.165215 | < 1/R**2 > | 13.769811 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.763433 | .39649339 |
| 2 | 2s | 6.774758 | -.85197940 |
| 3 | 3s | 6.208171 | -.29994618 |
| 4 | 4s | 17.592472 | .00796243 |
| 5 | 3s | 20.055872 | .00678953 |
| 6 | 5s | 34.305403 | .00062755 |
| 7 | 5s | 4.933556 | -.00226212 |
| 8 | 4s | 3.707138 | .00097969 |
| 9 | 2s | 84.307712 | .00000728 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452516 | < R2 > | .241053 | < 1/R > | 3.232932 | < 1/R**2 > | 42.710556 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164776 | .91812339 |
| 2 | 1s | 22.012157 | .07851386 |
| 3 | 2s | 9.677021 | .01986802 |
| 4 | 3s | 11.856000 | -.01989782 |
| 5 | 4s | 14.424702 | .00893430 |
| 6 | 5s | 38.954748 | .00083120 |
| 7 | 4s | 94.634624 | -.00002705 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096882 | < R2 > | .012600 | < 1/R > | 15.593603 | < 1/R**2 > | 490.125441 |
Total Energy= -366.58598503 a.u.
Kinetic Energy= 366.59908050 a.u.
Potential Energy= -733.18506553 a.u.
Virial Ratio = -1.99996428