(1s 2 3p 1 ) 2 P F 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 2.292870 | 1.72469261 |
| 2 | 3p | 2.364481 | -2.34123975 |
| 3 | 2p | 4.575968 | .01906083 |
| 4 | 3p | 3.878823 | -.02409138 |
| 5 | 2p | 10.266440 | .00648356 |
| 6 | 5p | 2.107686 | -.00261050 |
| 7 | 3p | 27.086938 | .00003729 |
| ORB.ENERGY,a.u. | -2.769400 | ||
| NORM | 1.000000 | < R > | 1.752988 | < R2 > | 3.543609 | < 1/R > | .797701 | < 1/R**2 > | 1.304261 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.068160 | .84743717 |
| 2 | 1s | 12.461361 | .14938652 |
| 3 | 2s | 10.803202 | .02118096 |
| 4 | 3s | 8.996572 | -.01623127 |
| 5 | 4s | 15.240573 | .00352478 |
| 6 | 5s | 46.523091 | -.00010808 |
| 7 | 5s | 5.837319 | -.00026998 |
| 8 | 3s | 47.409358 | -.00005409 |
| ORB.ENERGY,a.u. | -34.178000 |
| NORM | 1.000000 | < R > | .174103 | < R2 > | .040653 | < 1/R > | 8.681872 | < 1/R**2 > | 152.242402 |
Total Energy= -78.25454000 a.u.
Kinetic Energy= 78.25453423 a.u.
Potential Energy= -156.50907423 a.u.
Virial Ratio = -2.00000007