(1s 2 2s 2 2p 1 5p 1 ) 1 D C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 5p- electron | |
| 1 | 2p | 1.349722 | .03631317 |
| 2 | 3p | .294356 | -1.74800362 |
| 3 | 4p | .297789 | 3.15980231 |
| 4 | 5p | .227157 | -1.95995027 |
| 5 | 5p | .890431 | -.07332554 |
| 6 | 2p | 3.862113 | .00384689 |
| 7 | 5p | 5.803942 | .00099552 |
| ORB.ENERGY,a.u. | -.025832 | ||
| NORM | 1.000003 | < R > | 28.137388 | < R2 > | 890.190227 | < 1/R > | .047271 | < 1/R**2 > | .004733 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.416282 | .61263117 |
| 2 | 2p | 2.398600 | .38600420 |
| 3 | 2p | 6.497977 | .01197498 |
| 4 | 5p | .349657 | .05969638 |
| 5 | 4p | .845198 | -.00950056 |
| 6 | 5p | 2.706194 | .04327685 |
| 7 | 3p | .168847 | -.06222685 |
| 8 | 5p | 14.375709 | -.00022456 |
| ORB.ENERGY,a.u. | -.817790 | ||
| NORM | 1.000000 | < R > | 1.481892 | < R2 > | 3.241726 | < 1/R > | .887437 | < 1/R**2 > | 1.107922 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.580136 | .24024679 |
| 2 | 2s | 1.552374 | -.76076534 |
| 3 | 3s | 2.861513 | -.27233854 |
| 4 | 4s | 11.712689 | .00196260 |
| 5 | 5s | 5.914051 | -.02897255 |
| 6 | 5s | 1.867558 | .02761478 |
| 7 | 2s | 39.231731 | -.00000302 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.476031 | < R2 > | 2.591316 | < 1/R > | .960841 | < 1/R**2 > | 3.713801 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212868 | .71609807 |
| 2 | 1s | 8.200794 | .22614092 |
| 3 | 1s | 2.385918 | .00354725 |
| 4 | 2s | 6.450881 | .08052126 |
| 5 | 3s | 6.779801 | -.01402506 |
| 6 | 4s | 10.925396 | .00565122 |
| 7 | 5s | 42.339493 | -.00002669 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268108 | < R2 > | .096884 | < 1/R > | 5.668428 | < 1/R**2 > | 65.301487 |
Total Energy= -37.31841719 a.u.
Kinetic Energy= 37.31805344 a.u.
Potential Energy= -74.63647062 a.u.
Virial Ratio = -2.00000975