(1s 2 ) 1 S Na 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1010.
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 | 1s- electron | |
1 | 1s | 10.427124 | .96120603 |
2 | 1s | 21.583966 | .03011594 |
3 | 2s | 18.713177 | .01535531 |
4 | 3s | 21.379821 | -.00258483 |
5 | 5s | 25.720047 | .00099461 |
6 | 4s | 31.192547 | .00046622 |
ORB.ENERGY,a.u. | -53.899000 |
NORM | 1.000000 | < R > | .141190 | < R2 > | .026699 | < 1/R > | 10.687495 | < 1/R**2 > | 230.227515 |
Total Energy= -114.23610355 a.u.
Kinetic Energy= 114.23610732 a.u.
Potential Energy= -228.47221086 a.u.
Virial Ratio = -1.99999997