(1s 2 2s 2 2p 4 3p 1 ) 4 S Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 3p- electron | |
| 1 | 2p | 5.516940 | .43775491 |
| 2 | 3p | 3.330694 | -.92221380 |
| 3 | 4p | 3.799585 | -.23377239 |
| 4 | 2p | 10.473055 | .08853841 |
| 5 | 5p | 17.057938 | .00315739 |
| 6 | 5p | 43.403637 | -.00024442 |
| 7 | 4p | 65.989996 | -.00004100 |
| 8 | 5p | 3.173308 | -.00854488 |
| ORB.ENERGY,a.u. | -5.416100 | ||
| NORM | 1.000000 | < R > | 1.154423 | < R2 > | 1.522637 | < 1/R > | 1.169947 | < 1/R**2 > | 2.902477 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.036549 | 1.14031963 |
| 2 | 3p | 6.808789 | -.21741316 |
| 3 | 2p | 12.865519 | .07307131 |
| 4 | 4p | 15.124053 | .01130741 |
| 5 | 5p | 43.716121 | -.00012700 |
| 6 | 5p | 3.637299 | -.00037830 |
| ORB.ENERGY,a.u. | -15.525000 | ||
| NORM | 1.000000 | < R > | .374631 | < R2 > | .171634 | < 1/R > | 3.414419 | < 1/R**2 > | 15.987948 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.519794 | .40304924 |
| 2 | 2s | 7.273808 | -.85310679 |
| 3 | 3s | 6.775383 | -.29908231 |
| 4 | 4s | 17.614309 | .00817817 |
| 5 | 3s | 20.944210 | .00797994 |
| 6 | 5s | 34.454540 | .00055939 |
| 7 | 5s | 6.228963 | -.00752003 |
| 8 | 2s | 65.612315 | .00002805 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421967 | < R2 > | .209559 | < 1/R > | 3.472187 | < 1/R**2 > | 49.250827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.158813 | .92118575 |
| 2 | 1s | 23.431912 | .07502429 |
| 3 | 2s | 10.607425 | .02003387 |
| 4 | 3s | 12.808742 | -.01994129 |
| 5 | 4s | 15.397881 | .00917483 |
| 6 | 5s | 41.235175 | .00072372 |
| 7 | 4s | 95.226489 | -.00003017 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091052 | < R2 > | .011126 | < 1/R > | 16.587504 | < 1/R**2 > | 554.417089 |
Total Energy= -422.79797432 a.u.
Kinetic Energy= 422.74861448 a.u.
Potential Energy= -845.54658881 a.u.
Virial Ratio = -2.00011676