(1s 2 2s 2 2p 5 5p 1 ) 3 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 4.015581 | .16273907 |
| 2 | 3p | 1.806326 | -1.60569091 |
| 3 | 4p | 1.495948 | 3.61115843 |
| 4 | 5p | 1.284116 | -2.78388184 |
| 5 | 5p | 12.695763 | .00255718 |
| 6 | 2p | 8.526163 | .04731227 |
| 7 | 4p | 30.743005 | -.00017422 |
| 8 | 4p | .874616 | .01703759 |
| ORB.ENERGY,a.u. | -.839460 | ||
| NORM | .999998 | < R > | 5.214285 | < R2 > | 30.570512 | < 1/R > | .274519 | < 1/R**2 > | .283004 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.862987 | 1.22111394 |
| 2 | 3p | 5.739976 | -.29999011 |
| 3 | 2p | 11.276144 | .07644541 |
| 4 | 3p | 42.898261 | .00003338 |
| 5 | 4p | 13.508108 | .01370394 |
| 6 | 5p | 3.289600 | .00042418 |
| ORB.ENERGY,a.u. | -9.346900 | ||
| NORM | 1.000000 | < R > | .459186 | < R2 > | .260417 | < 1/R > | 2.818025 | < 1/R**2 > | 11.032611 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.142764 | .37210934 |
| 2 | 2s | 6.143272 | -.83420588 |
| 3 | 3s | 5.430713 | -.30274115 |
| 4 | 4s | 18.537578 | .00412055 |
| 5 | 3s | 17.346574 | .00675585 |
| 6 | 5s | 36.583501 | .00041690 |
| 7 | 5s | 4.757948 | -.00294060 |
| 8 | 4s | 3.273095 | .00067463 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501356 | < R2 > | .297123 | < 1/R > | 2.911446 | < 1/R**2 > | 34.793438 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204399 | .92330302 |
| 2 | 1s | 20.989762 | .07299239 |
| 3 | 2s | 8.539653 | .02102484 |
| 4 | 3s | 10.649292 | -.02131988 |
| 5 | 4s | 13.395077 | .01069138 |
| 6 | 5s | 35.530015 | .00079241 |
| 7 | 4s | 81.629823 | -.00004271 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103675 | < R2 > | .014443 | < 1/R > | 14.584885 | < 1/R**2 > | 429.121273 |
Total Energy= -327.15790366 a.u.
Kinetic Energy= 327.15539714 a.u.
Potential Energy= -654.31330080 a.u.
Virial Ratio = -2.00000766