(1s 2 3p 1 ) 2 P Al 10+
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 | 5.180308 | .79344586 |
2 | 3p | 3.594372 | -1.55082851 |
3 | 4p | 5.774064 | .22390492 |
4 | 5p | 10.327997 | .02010796 |
5 | 4p | 22.912905 | -.00306426 |
6 | 5p | 29.740119 | .00069925 |
7 | 5p | 3.346847 | .00786998 |
8 | 3p | 39.639599 | -.00009486 |
ORB.ENERGY,a.u. | -6.809900 |
NORM | 1.000000 | < R > | 1.121521 | < R2 > | 1.449927 | < 1/R > | 1.243930 | < 1/R**2 > | 3.146045 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 12.429244 | .93897785 |
2 | 1s | 20.073878 | .05013949 |
3 | 2s | 15.064575 | .01651996 |
4 | 3s | 13.939771 | .00228145 |
5 | 4s | 21.021503 | -.00229844 |
6 | 5s | 27.685975 | .00046772 |
7 | 3s | 32.153639 | -.00083660 |
8 | 5s | 5.094575 | -.00007665 |
ORB.ENERGY,a.u. | -75.350000 |
NORM | 1.000000 | < R > | .118906 | < R2 > | .018927 | < 1/R > | 12.681101 | < 1/R**2 > | 323.796730 |
Total Energy= -167.78979543 a.u.
Kinetic Energy= 167.78980172 a.u.
Potential Energy= -335.57959715 a.u.
Virial Ratio = -1.99999996