(1s 2 2s 2 2p 2 5d 1 ) 2 D Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | 1.184593 | 2.03504865 |
| 2 | 4d | 1.057874 | -5.26993732 |
| 3 | 5d | .991609 | 3.94281655 |
| 4 | 3d | 5.258514 | .01052227 |
| 5 | 5d | 2.559781 | -.01742785 |
| 6 | 4d | 12.393045 | -.00015426 |
| 7 | 4d | .338496 | -.00046736 |
| ORB.ENERGY,a.u. | -.502000 | ||
| NORM | 1.000002 | < R > | 6.852913 | < R2 > | 53.376187 | < 1/R > | .204114 | < 1/R**2 > | .086670 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.883790 | 1.21100706 |
| 2 | 3p | 4.762834 | -.23517604 |
| 3 | 2p | 10.572308 | .02154133 |
| 4 | 4p | 11.192417 | .00563909 |
| 5 | 5p | 23.618100 | -.00031936 |
| 6 | 5p | 3.262304 | .00243102 |
| ORB.ENERGY,a.u. | -6.080300 | ||
| NORM | 1.000000 | < R > | .612178 | < R2 > | .458097 | < 1/R > | 2.089667 | < 1/R**2 > | 5.997081 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.009432 | .36323665 |
| 2 | 2s | 4.420480 | -.82556399 |
| 3 | 3s | 4.504215 | -.26820462 |
| 4 | 4s | 17.478622 | .00286256 |
| 5 | 3s | 10.951466 | .01722637 |
| 6 | 5s | 4.488405 | -.04145470 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .679640 | < R2 > | .543631 | < 1/R > | 2.135451 | < 1/R**2 > | 18.559667 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126684 | .89440203 |
| 2 | 1s | 15.408775 | .10596062 |
| 3 | 2s | 9.674709 | .01798989 |
| 4 | 3s | 11.808869 | -.01487153 |
| 5 | 5s | 26.558937 | .00135664 |
| 6 | 4s | 68.145733 | -.00003317 |
| 7 | 5s | 8.579928 | .00097188 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142182 | < R2 > | .027154 | < 1/R > | 10.637868 | < 1/R**2 > | 228.528354 |
Total Energy= -149.28634667 a.u.
Kinetic Energy= 149.27258235 a.u.
Potential Energy= -298.55892902 a.u.
Virial Ratio = -2.00009221