(1s 2 2s 2 2p 1 5d 1 ) 1 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 2.181183 | 3.60212644 |
| 2 | 4d | 2.202586 | -9.05987892 |
| 3 | 5d | 2.216472 | 6.12174077 |
| 4 | 3d | 6.607533 | .02881470 |
| 5 | 5d | 1.616902 | .02437909 |
| 6 | 5d | 9.790618 | -.00861863 |
| 7 | 4d | 30.413914 | .00005869 |
| 8 | 4d | 1.207238 | -.00796728 |
| 9 | 3d | 41.111200 | .00000970 |
| ORB.ENERGY,a.u. | -2.438100 | ||
| NORM | 1.000004 | < R > | 3.107077 | < R2 > | 10.964101 | < 1/R > | .448182 | < 1/R**2 > | .412693 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.676896 | 1.07985971 |
| 2 | 3p | 8.284854 | -.09425638 |
| 3 | 2p | 15.415271 | .01401343 |
| 4 | 5p | 17.008522 | .00238931 |
| 5 | 4p | 31.401278 | -.00071831 |
| 6 | 5p | 6.416547 | .00255163 |
| 7 | 5p | 95.761554 | -.00001530 |
| ORB.ENERGY,a.u. | -20.244000 | ||
| NORM | 1.000000 | < R > | .367297 | < R2 > | .163214 | < 1/R > | 3.438964 | < 1/R**2 > | 15.988383 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.762418 | .37922158 |
| 2 | 2s | 6.110677 | -.81282050 |
| 3 | 3s | 8.801194 | -.28399495 |
| 4 | 4s | 29.968401 | .00113867 |
| 5 | 5s | 17.319241 | -.01030793 |
| 6 | 5s | 6.868073 | .01931604 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424166 | < R2 > | .210459 | < 1/R > | 3.462210 | < 1/R**2 > | 48.461516 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176008 | .93663552 |
| 2 | 1s | 24.005420 | .06074271 |
| 3 | 2s | 14.586758 | .02470573 |
| 4 | 3s | 23.058454 | -.00902980 |
| 5 | 4s | 19.338916 | -.01166235 |
| 6 | 5s | 40.548579 | .00068326 |
| 7 | 5s | 9.287364 | .00005893 |
| 8 | 3s | 65.205118 | -.00004971 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096361 | < R2 > | .012435 | < 1/R > | 15.647462 | < 1/R**2 > | 492.755823 |
Total Energy= -318.85457528 a.u.
Kinetic Energy= 318.82174961 a.u.
Potential Energy= -637.67632489 a.u.
Virial Ratio = -2.00010296