(1s 2 2s 2 2p 5 4d 1 ) 1 F Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | .567350 | 1.41468781 |
| 2 | 4d | .499039 | -1.90961795 |
| 3 | 3d | 2.960718 | .01602271 |
| 4 | 5d | 4.797032 | -.00299694 |
| 5 | 4d | 1.661861 | .01583938 |
| 6 | 4d | 16.091609 | .00003927 |
| ORB.ENERGY,a.u. | -.126850 | ||
| NORM | .999996 | < R > | 10.288622 | < R2 > | 121.403031 | < 1/R > | .129607 | < 1/R**2 > | .028086 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.843565 | 1.40723641 |
| 2 | 3p | 3.453092 | -.51135490 |
| 3 | 2p | 7.768505 | .09992747 |
| 4 | 4p | 8.805804 | .02736118 |
| 5 | 5p | 2.162462 | .02911670 |
| 6 | 4p | 1.920198 | -.03207593 |
| 7 | 5p | 25.899432 | -.00026679 |
| 8 | 4p | 16.539504 | .00058377 |
| ORB.ENERGY,a.u. | -2.404400 | ||
| NORM | 1.000000 | < R > | .738651 | < R2 > | .689279 | < 1/R > | 1.796910 | < 1/R**2 > | 4.609989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.126276 | .32114789 |
| 2 | 2s | 4.174754 | -.80963487 |
| 3 | 3s | 3.325502 | -.32038865 |
| 4 | 4s | 14.692294 | .01172768 |
| 5 | 3s | 19.791780 | .00198154 |
| 6 | 5s | 27.844215 | .00049521 |
| 7 | 5s | 2.350159 | -.00486040 |
| 8 | 4s | 2.631330 | .00735774 |
| 9 | 3s | 1.411357 | .00156936 |
| 10 | 2s | 80.874445 | .00000194 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752983 | < R2 > | .677975 | < 1/R > | 1.927104 | < 1/R**2 > | 15.317513 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337041 |
| 2 | 1s | 15.492794 | .08642431 |
| 3 | 2s | 5.346038 | .01503879 |
| 4 | 3s | 7.014835 | -.01793785 |
| 5 | 4s | 9.114092 | .01105070 |
| 6 | 5s | 25.925832 | .00104937 |
| 7 | 4s | 58.318226 | -.00005715 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611094 | < 1/R**2 > | 227.652904 |
Total Energy= -160.12501047 a.u.
Kinetic Energy= 160.12423787 a.u.
Potential Energy= -320.24924834 a.u.
Virial Ratio = -2.00000483