(1s 2 2s 2 2p 3 5p 1 ) 5 P Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5151.
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 | 3.637053 | .19935350 |
| 2 | 3p | 1.661952 | -2.06899716 |
| 3 | 4p | 1.465037 | 4.33752273 |
| 4 | 5p | 1.276016 | -2.91568784 |
| 5 | 2p | 7.230849 | .05110276 |
| 6 | 5p | 21.411303 | -.00095827 |
| 7 | 4p | 31.478716 | -.00026945 |
| 8 | 5p | 1.258140 | -.12780231 |
| ORB.ENERGY,a.u. | -.822510 | ||
| NORM | 1.000000 | < R > | 5.326411 | < R2 > | 31.890546 | < 1/R > | .269068 | < 1/R**2 > | .264703 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.774770 | 1.38323793 |
| 2 | 3p | 6.166568 | -.48344809 |
| 3 | 4p | 7.615520 | .09463759 |
| 4 | 5p | 22.170084 | -.00263229 |
| 5 | 4p | 3.104184 | .01295271 |
| 6 | 4p | 29.055264 | -.00127630 |
| 7 | 5p | 3.067645 | -.00767517 |
| 8 | 3p | 1.840173 | .00141219 |
| 9 | 3p | 41.268000 | -.00010365 |
| ORB.ENERGY,a.u. | -8.619600 | ||
| NORM | 1.000000 | < R > | .510564 | < R2 > | .319031 | < 1/R > | 2.508535 | < 1/R**2 > | 8.649180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.491079 | .37803104 |
| 2 | 2s | 5.345375 | -.84570658 |
| 3 | 3s | 5.038799 | -.28265180 |
| 4 | 4s | 21.340692 | .00229269 |
| 5 | 3s | 12.554219 | .01631924 |
| 6 | 5s | 5.167566 | -.01637014 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .569316 | < R2 > | .381746 | < 1/R > | 2.558623 | < 1/R**2 > | 26.722909 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.168699 | .91994627 |
| 2 | 1s | 18.714635 | .07895322 |
| 3 | 2s | 10.837990 | .01803295 |
| 4 | 3s | 15.238822 | -.01488499 |
| 5 | 4s | 23.755998 | .00309896 |
| 6 | 5s | 41.984578 | .00013728 |
| 7 | 5s | 9.362856 | .00077315 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119828 | < R2 > | .019284 | < 1/R > | 12.616924 | < 1/R**2 > | 321.206836 |
Total Energy= -223.93432593 a.u.
Kinetic Energy= 223.94077981 a.u.
Potential Energy= -447.87510574 a.u.
Virial Ratio = -1.99997118