(1s 2 2s 1 5d 1 ) 1 D P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 2.397998 | 3.53355765 |
| 2 | 4d | 2.402140 | -8.84228094 |
| 3 | 5d | 2.404259 | 5.98970377 |
| 4 | 3d | 10.051272 | .00538669 |
| 5 | 5d | 2.092619 | .00781769 |
| 6 | 5d | 27.427337 | -.00024140 |
| 7 | 4d | 5.951481 | .00486769 |
| 8 | 4d | 47.620184 | -.00002245 |
| ORB.ENERGY,a.u. | -2.886500 | ||
| NORM | 1.000002 | < R > | 2.866209 | < R2 > | 9.326022 | < 1/R > | .483910 | < 1/R**2 > | .474159 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.281140 | .42525946 |
| 2 | 2s | 6.470159 | -.80789472 |
| 3 | 3s | 7.742402 | -.30289550 |
| 4 | 5s | 13.277216 | -.02271332 |
| 5 | 4s | 26.442548 | .00599674 |
| 6 | 5s | 35.112330 | -.00147434 |
| 7 | 4s | 90.209155 | .00001957 |
| ORB.ENERGY,a.u. | -21.981000 | ||
| NORM | 1.000000 | < R > | .437176 | < R2 > | .222917 | < 1/R > | 3.374294 | < 1/R**2 > | 45.890105 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.421882 | .93891104 |
| 2 | 1s | 22.887281 | .04875553 |
| 3 | 2s | 17.468313 | .01654448 |
| 4 | 3s | 10.795779 | .00167849 |
| 5 | 4s | 60.522239 | -.00045889 |
| 6 | 5s | 80.960226 | .00016787 |
| 7 | 5s | 7.393284 | .00011127 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102702 | < R2 > | .014118 | < 1/R > | 14.674826 | < 1/R**2 > | 433.275500 |
Total Energy= -241.09838971 a.u.
Kinetic Energy= 241.02594427 a.u.
Potential Energy= -482.12433398 a.u.
Virial Ratio = -2.00030057