(1s 2 2s 2 2p 2 3d 1 ) 4 F Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 1.788650 | 1.17225933 |
| 2 | 3d | 4.398165 | .05034733 |
| 3 | 4d | 2.156155 | -.20172508 |
| 4 | 5d | 28.935119 | .00002980 |
| 5 | 5d | 1.076074 | .00043558 |
| 6 | 4d | 14.222836 | -.00007001 |
| 7 | 3d | 27.376864 | .00000868 |
| ORB.ENERGY,a.u. | -1.486300 | ||
| NORM | 1.000000 | < R > | 1.882991 | < R2 > | 4.118625 | < 1/R > | .634444 | < 1/R**2 > | .500022 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.748615 | 1.24652993 |
| 2 | 3p | 4.445774 | -.28501697 |
| 3 | 2p | 9.875202 | .03125634 |
| 4 | 4p | 10.663064 | .00893368 |
| 5 | 5p | 23.312383 | -.00030766 |
| 6 | 5p | 2.907104 | .00385705 |
| ORB.ENERGY,a.u. | -5.683700 | ||
| NORM | 1.000000 | < R > | .617925 | < R2 > | .468247 | < 1/R > | 2.075892 | < 1/R**2 > | 5.931555 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.976543 | .36423915 |
| 2 | 2s | 4.438478 | -.82829882 |
| 3 | 3s | 4.443469 | -.26936326 |
| 4 | 4s | 17.657461 | .00277836 |
| 5 | 3s | 10.769646 | .01881280 |
| 6 | 5s | 4.406729 | -.04221127 |
| 7 | 5s | 2.836717 | -.00074404 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .681885 | < R2 > | .547854 | < 1/R > | 2.129384 | < 1/R**2 > | 18.465043 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.127220 | .89433068 |
| 2 | 1s | 15.405609 | .10601998 |
| 3 | 2s | 9.682637 | .01797972 |
| 4 | 3s | 11.807925 | -.01487082 |
| 5 | 5s | 26.549874 | .00136997 |
| 6 | 4s | 68.670728 | -.00003277 |
| 7 | 5s | 8.524859 | .00096823 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142172 | < R2 > | .027149 | < 1/R > | 10.638394 | < 1/R**2 > | 228.546372 |
Total Energy= -150.22230681 a.u.
Kinetic Energy= 150.25702861 a.u.
Potential Energy= -300.47933542 a.u.
Virial Ratio = -1.99976892