(1s 2 2s 2 2p 5 ) 2 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 2.820638 | .67998197 |
| 2 | 2p | 5.131147 | .45110530 |
| 3 | 3p | 6.916881 | -.11018870 |
| 4 | 4p | 9.195942 | .02075166 |
| 5 | 5p | 2.806322 | .01476440 |
| 6 | 5p | 27.487954 | -.00014181 |
| ORB.ENERGY,a.u. | -2.572900 | ||
| NORM | 1.000000 | < R > | .738477 | < R2 > | .688838 | < 1/R > | 1.797126 | < 1/R**2 > | 4.610781 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.145135 | .32016902 |
| 2 | 2s | 4.149342 | -.82851328 |
| 3 | 3s | 3.157668 | -.32547622 |
| 4 | 4s | 13.156089 | .00393389 |
| 5 | 3s | 12.788351 | .01284014 |
| 6 | 5s | 3.447580 | .03871997 |
| 7 | 4s | 2.710197 | -.00680279 |
| 8 | 2s | 35.363565 | .00008413 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .752914 | < R2 > | .677806 | < 1/R > | 1.927212 | < 1/R**2 > | 15.318848 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.239418 | .91177380 |
| 2 | 1s | 15.461079 | .08687087 |
| 3 | 2s | 5.341468 | .01946483 |
| 4 | 3s | 6.773344 | -.02037265 |
| 5 | 4s | 8.846180 | .01008480 |
| 6 | 5s | 26.153786 | .00099214 |
| 7 | 4s | 57.264843 | -.00005865 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027438 | < 1/R > | 10.611080 | < 1/R**2 > | 227.652454 |
Total Energy= -159.99739762 a.u.
Kinetic Energy= 159.99738930 a.u.
Potential Energy= -319.99478693 a.u.
Virial Ratio = -2.00000005