(1s 1 3d 1 ) 1 D Na 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
1 | 3d | 3.332602 | 1.00017317 |
2 | 3d | 8.313026 | -.00035273 |
3 | 4d | 35.860452 | .00002544 |
ORB.ENERGY,a.u. | -5.653400 |
NORM | 1.000000 | < R > | 1.050385 | < R2 > | 1.260846 | < 1/R > | 1.110585 | < 1/R**2 > | 1.479826 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 10.740294 | .88920846 |
2 | 1s | 13.406439 | .10562866 |
3 | 2s | 13.817222 | .01064038 |
4 | 3s | 10.449491 | -.00555415 |
5 | 4s | 25.927797 | .00006114 |
6 | 5s | 11.304532 | .00036625 |
ORB.ENERGY,a.u. | -59.431000 |
NORM | 1.000000 | < R > | .136355 | < R2 > | .024789 | < 1/R > | 11.000374 | < 1/R**2 > | 242.012232 |
Total Energy= -66.07312941 a.u.
Kinetic Energy= 66.05441194 a.u.
Potential Energy= -132.12754135 a.u.
Virial Ratio = -2.00028336