(1s 2 2s 2 2p 1 5p 1 ) 3 S S 10+
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 | 5.087122 | .36224043 |
| 2 | 3p | 2.569446 | -3.30539624 |
| 3 | 4p | 2.266736 | 9.22835755 |
| 4 | 5p | 2.269766 | -6.78975354 |
| 5 | 2p | 10.001006 | .03337898 |
| 6 | 5p | 4.318024 | -.16377904 |
| 7 | 5p | 35.246585 | -.00045802 |
| 8 | 4p | 54.697595 | -.00007320 |
| ORB.ENERGY,a.u. | -2.559900 | ||
| NORM | 1.000000 | < R > | 3.139549 | < R2 > | 11.085722 | < 1/R > | .460752 | < 1/R**2 > | .738201 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.664964 | 1.08583073 |
| 2 | 3p | 8.396758 | -.10645308 |
| 3 | 5p | 5.555527 | .00059052 |
| 4 | 2p | 15.652283 | .01351239 |
| 5 | 5p | 14.693841 | .00743227 |
| 6 | 4p | 3.567360 | -.00009118 |
| 7 | 5p | 21.915083 | .00299962 |
| ORB.ENERGY,a.u. | -20.293000 | ||
| NORM | 1.000000 | < R > | .367140 | < R2 > | .163054 | < 1/R > | 3.440156 | < 1/R**2 > | 15.998443 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753865 | .37954236 |
| 2 | 2s | 6.120341 | -.81208749 |
| 3 | 3s | 8.817530 | -.28435229 |
| 4 | 4s | 29.701127 | .00137747 |
| 5 | 5s | 17.055223 | -.00942292 |
| 6 | 5s | 6.754587 | .01728541 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424197 | < R2 > | .210485 | < 1/R > | 3.461919 | < 1/R**2 > | 48.454755 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.163591 | .92990299 |
| 2 | 1s | 23.279700 | .06772018 |
| 3 | 2s | 13.744700 | .02346869 |
| 4 | 3s | 21.067142 | -.00991290 |
| 5 | 4s | 18.048961 | -.00969271 |
| 6 | 5s | 39.837261 | .00084305 |
| 7 | 3s | 67.516366 | -.00004891 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096368 | < R2 > | .012437 | < 1/R > | 15.646595 | < 1/R**2 > | 492.711923 |
Total Energy= -318.94142391 a.u.
Kinetic Energy= 318.94201117 a.u.
Potential Energy= -637.88343507 a.u.
Virial Ratio = -1.99999816