(1s 2 2s 2 2p 4 4p 1 ) 4 S Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 8.388081 | .19539141 |
| 2 | 3p | 1.926178 | 2.23394739 |
| 3 | 4p | 3.578960 | -1.68092756 |
| 4 | 5p | 6.375712 | -.15573659 |
| 5 | 3p | 19.231103 | -.00143637 |
| 6 | 5p | 1.784009 | -.24575309 |
| 7 | 4p | 1.230632 | .09717290 |
| 8 | 5p | 74.554488 | .00000963 |
| 9 | 3p | .484631 | -.05565521 |
| 10 | 5p | .635174 | .03965716 |
| ORB.ENERGY,a.u. | -2.884800 | ||
| NORM | .999999 | < R > | 2.242470 | < R2 > | 5.687340 | < 1/R > | .628890 | < 1/R**2 > | 1.134303 |
| 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 | 13.486584 | .40538130 |
| 2 | 2s | 7.285904 | -.85600779 |
| 3 | 3s | 6.745885 | -.30079306 |
| 4 | 4s | 17.163752 | .00533832 |
| 5 | 3s | 18.988693 | .00980895 |
| 6 | 5s | 36.681630 | .00055078 |
| 7 | 5s | 5.706531 | -.00361223 |
| 8 | 4s | 3.710302 | .00112804 |
| 9 | 2s | 88.408758 | .00000710 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421015 | < R2 > | .208495 | < 1/R > | 3.479618 | < 1/R**2 > | 49.441213 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.158600 | .92086640 |
| 2 | 1s | 23.397123 | .07544278 |
| 3 | 2s | 10.473134 | .02018615 |
| 4 | 3s | 12.706233 | -.02019341 |
| 5 | 4s | 15.359783 | .00906641 |
| 6 | 5s | 41.380412 | .00074619 |
| 7 | 4s | 97.043764 | -.00002784 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091038 | < R2 > | .011122 | < 1/R > | 16.589254 | < 1/R**2 > | 554.508987 |
Total Energy= -420.23844039 a.u.
Kinetic Energy= 420.22027116 a.u.
Potential Energy= -840.45871155 a.u.
Virial Ratio = -2.00004324