(1s 2 2s 2 2p 5 5p 1 ) 3 S P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 4.326013 | .16345530 |
| 2 | 3p | 1.958216 | -1.29556669 |
| 3 | 4p | 1.471701 | 3.47341069 |
| 4 | 5p | 1.312149 | -2.85308217 |
| 5 | 5p | 13.161874 | .00328110 |
| 6 | 2p | 8.740280 | .04268069 |
| 7 | 5p | 1.305009 | -.10767747 |
| 8 | 4p | 32.229392 | -.00014573 |
| ORB.ENERGY,a.u. | -.853820 | ||
| NORM | .999998 | < R > | 5.130521 | < R2 > | 29.590352 | < 1/R > | .280310 | < 1/R**2 > | .301525 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.864972 | 1.22579789 |
| 2 | 3p | 5.753948 | -.30371191 |
| 3 | 4p | 1.501713 | -.01292201 |
| 4 | 2p | 11.247975 | .07623691 |
| 5 | 4p | 13.421798 | .01267517 |
| 6 | 5p | 1.483851 | .00766755 |
| 7 | 5p | 35.293119 | -.00012973 |
| 8 | 4p | 1.922874 | .00634347 |
| ORB.ENERGY,a.u. | -9.361200 | ||
| NORM | 1.000000 | < R > | .459319 | < R2 > | .260594 | < 1/R > | 2.817439 | < 1/R**2 > | 11.028827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.142057 | .37213931 |
| 2 | 2s | 6.143434 | -.83436631 |
| 3 | 3s | 5.429072 | -.30273233 |
| 4 | 4s | 18.501494 | .00415764 |
| 5 | 3s | 17.364531 | .00674945 |
| 6 | 5s | 36.532134 | .00041979 |
| 7 | 5s | 4.733761 | -.00295301 |
| 8 | 4s | 3.336404 | .00078921 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501359 | < R2 > | .297128 | < 1/R > | 2.911426 | < 1/R**2 > | 34.792977 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204399 | .92330329 |
| 2 | 1s | 20.989754 | .07299244 |
| 3 | 2s | 8.539597 | .02102453 |
| 4 | 3s | 10.649252 | -.02131992 |
| 5 | 4s | 13.395299 | .01069074 |
| 6 | 5s | 35.529313 | .00079245 |
| 7 | 4s | 81.637452 | -.00004270 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103675 | < R2 > | .014443 | < 1/R > | 14.584889 | < 1/R**2 > | 429.121477 |
Total Energy= -327.15766863 a.u.
Kinetic Energy= 327.16971394 a.u.
Potential Energy= -654.32738257 a.u.
Virial Ratio = -1.99996318