(1s 2 2s 2 2p 5 5p 1 ) 1 S P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 3.230082 | .22270766 |
| 2 | 3p | 1.630398 | -2.22378578 |
| 3 | 4p | 1.423571 | 4.75953953 |
| 4 | 5p | 1.267643 | -3.35890523 |
| 5 | 2p | 9.325131 | .02564879 |
| 6 | 5p | 14.957046 | .00135265 |
| 7 | 4p | 43.236430 | -.00002223 |
| ORB.ENERGY,a.u. | -.809840 | ||
| NORM | .999997 | < R > | 5.411168 | < R2 > | 32.900981 | < 1/R > | .254203 | < 1/R**2 > | .194775 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.978438 | 1.22368384 |
| 2 | 3p | 6.053308 | -.28766746 |
| 3 | 2p | 11.248815 | .06761984 |
| 4 | 4p | 12.995351 | .00782037 |
| 5 | 5p | 1.637996 | .06290206 |
| 6 | 4p | 1.222248 | -.06334112 |
| 7 | 5p | 31.910621 | -.00060447 |
| 8 | 4p | 45.354846 | -.00012805 |
| 9 | 3p | .582914 | -.00049965 |
| ORB.ENERGY,a.u. | -9.317300 | ||
| NORM | 1.000000 | < R > | .458931 | < R2 > | .262937 | < 1/R > | 2.820655 | < 1/R**2 > | 11.048194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.142622 | .37212673 |
| 2 | 2s | 6.144421 | -.83400644 |
| 3 | 3s | 5.436654 | -.30252879 |
| 4 | 4s | 18.264516 | .00422003 |
| 5 | 3s | 17.423000 | .00676258 |
| 6 | 5s | 35.961938 | .00045645 |
| 7 | 5s | 5.135372 | -.00289624 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501335 | < R2 > | .297094 | < 1/R > | 2.911538 | < 1/R**2 > | 34.795261 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204399 | .92330403 |
| 2 | 1s | 20.989990 | .07299168 |
| 3 | 2s | 8.539771 | .02102363 |
| 4 | 3s | 10.650323 | -.02131720 |
| 5 | 4s | 13.395026 | .01069025 |
| 6 | 5s | 35.548164 | .00079293 |
| 7 | 4s | 81.624915 | -.00004229 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103675 | < R2 > | .014443 | < 1/R > | 14.584907 | < 1/R**2 > | 429.122409 |
Total Energy= -327.14986757 a.u.
Kinetic Energy= 327.12590890 a.u.
Potential Energy= -654.27577648 a.u.
Virial Ratio = -2.00007324