(1s 2 2s 2 2p 4 4p 1 ) 2 S Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 4p- electron | |
| 1 | 2p | 8.364708 | .19678889 |
| 2 | 3p | 1.896143 | 2.23581116 |
| 3 | 4p | 3.581114 | -1.64584667 |
| 4 | 5p | 6.346871 | -.15369353 |
| 5 | 3p | 18.525538 | -.00162185 |
| 6 | 5p | 1.819266 | -.34605443 |
| 7 | 4p | 1.379873 | .14091053 |
| 8 | 3p | .456307 | -.03119524 |
| 9 | 5p | .610737 | .02369278 |
| ORB.ENERGY,a.u. | -2.884800 | ||
| NORM | .999999 | < R > | 2.242470 | < R2 > | 5.687325 | < 1/R > | .628891 | < 1/R**2 > | 1.134304 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.036850 | 1.14017648 |
| 2 | 3p | 6.814560 | -.21700930 |
| 3 | 2p | 12.860245 | .07347876 |
| 4 | 4p | 15.179710 | .01166924 |
| 5 | 5p | 2.611289 | .00081642 |
| 6 | 5p | 42.646199 | -.00012385 |
| 7 | 4p | 4.683382 | -.00196785 |
| ORB.ENERGY,a.u. | -16.052000 | ||
| NORM | 1.000000 | < R > | .374226 | < R2 > | .171235 | < 1/R > | 3.417478 | < 1/R**2 > | 16.013619 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.484302 | .40548380 |
| 2 | 2s | 7.286916 | -.85598033 |
| 3 | 3s | 6.746064 | -.30101784 |
| 4 | 4s | 17.100413 | .00536327 |
| 5 | 3s | 18.944636 | .00979448 |
| 6 | 5s | 36.576195 | .00058188 |
| 7 | 5s | 5.662009 | -.00393444 |
| 8 | 4s | 3.869341 | .00146416 |
| 9 | 2s | 95.270299 | .00000566 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421015 | < R2 > | .208495 | < 1/R > | 3.479618 | < 1/R**2 > | 49.441217 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.158582 | .92084785 |
| 2 | 1s | 23.395826 | .07546079 |
| 3 | 2s | 10.458910 | .02020940 |
| 4 | 3s | 12.701649 | -.02020163 |
| 5 | 4s | 15.379596 | .00904961 |
| 6 | 5s | 41.569402 | .00074467 |
| 7 | 4s | 96.293168 | -.00002704 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091038 | < R2 > | .011122 | < 1/R > | 16.589253 | < 1/R**2 > | 554.508982 |
Total Energy= -420.23844005 a.u.
Kinetic Energy= 420.22024952 a.u.
Potential Energy= -840.45868958 a.u.
Virial Ratio = -2.00004329