(1s 2 2s 2 2p 5 4d 1 ) 3 D Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | .548186 | 1.55529423 |
| 2 | 4d | .497841 | -2.05016620 |
| 3 | 3d | 3.062682 | .01454320 |
| 4 | 5d | 4.989621 | -.00216439 |
| 5 | 4d | 1.794782 | .01038157 |
| 6 | 4d | 17.108146 | .00002722 |
| ORB.ENERGY,a.u. | -.125710 | ||
| NORM | .999997 | < R > | 10.386734 | < R2 > | 123.715928 | < 1/R > | .128270 | < 1/R**2 > | .027437 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.842036 | 1.39466166 |
| 2 | 3p | 3.460835 | -.49847389 |
| 3 | 2p | 7.692116 | .10358234 |
| 4 | 4p | 8.595627 | .02738757 |
| 5 | 5p | 2.330787 | .03677768 |
| 6 | 4p | 2.103259 | -.04325615 |
| 7 | 5p | 27.390922 | -.00015385 |
| 8 | 4p | 12.167910 | .00105006 |
| ORB.ENERGY,a.u. | -2.403200 | ||
| NORM | 1.000000 | < R > | .738624 | < R2 > | .689230 | < 1/R > | 1.796963 | < 1/R**2 > | 4.610221 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.123332 | .32130406 |
| 2 | 2s | 4.161503 | -.81496096 |
| 3 | 3s | 3.306573 | -.31543212 |
| 4 | 4s | 14.745992 | .01144069 |
| 5 | 3s | 19.750676 | .00183856 |
| 6 | 5s | 28.003000 | .00046557 |
| 7 | 5s | 2.253037 | -.02394574 |
| 8 | 4s | 2.010166 | .02835276 |
| 9 | 3s | 46.210691 | -.00001356 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752983 | < R2 > | .677973 | < 1/R > | 1.927099 | < 1/R**2 > | 15.317424 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337007 |
| 2 | 1s | 15.492794 | .08642430 |
| 3 | 2s | 5.345994 | .01503965 |
| 4 | 3s | 7.014762 | -.01793803 |
| 5 | 4s | 9.114098 | .01105069 |
| 6 | 5s | 25.925200 | .00104935 |
| 7 | 4s | 58.320374 | -.00005716 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611090 | < 1/R**2 > | 227.652771 |
Total Energy= -160.12498804 a.u.
Kinetic Energy= 160.12310673 a.u.
Potential Energy= -320.24809478 a.u.
Virial Ratio = -2.00001175