(1s 2 2s 2 2p 2 4p 1 ) 4 D Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 4p- electron | |
| 1 | 2p | 4.923954 | .20504240 |
| 2 | 3p | 1.356426 | -.49119733 |
| 3 | 5p | 1.466291 | 1.20756005 |
| 4 | 4p | 2.381425 | -.55800606 |
| 5 | 5p | 6.176526 | .02963392 |
| 6 | 4p | 14.820793 | -.00303032 |
| 7 | 5p | 1.759785 | .31768065 |
| 8 | 5p | 34.127304 | -.00027307 |
| 9 | 4p | 52.412063 | -.00005395 |
| 10 | 4p | .445582 | .00035370 |
| ORB.ENERGY,a.u. | -.926880 | ||
| NORM | 1.000000 | < R > | 3.879938 | < R2 > | 17.012414 | < 1/R > | .361072 | < 1/R**2 > | .375485 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.870808 | 1.23185312 |
| 2 | 3p | 4.738341 | -.25408646 |
| 3 | 2p | 10.796124 | .01949847 |
| 4 | 4p | 11.661959 | .00448556 |
| 5 | 5p | 23.307147 | -.00036531 |
| 6 | 5p | 2.024074 | -.00348057 |
| 7 | 4p | 2.082406 | .00497190 |
| ORB.ENERGY,a.u. | -5.970800 | ||
| NORM | 1.000000 | < R > | .612898 | < R2 > | .459313 | < 1/R > | 2.087833 | < 1/R**2 > | 5.988143 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.994717 | .36371951 |
| 2 | 2s | 4.430708 | -.82550707 |
| 3 | 3s | 4.506710 | -.26833838 |
| 4 | 4s | 17.896797 | .00275139 |
| 5 | 3s | 10.665343 | .01897526 |
| 6 | 5s | 4.498461 | -.04459146 |
| 7 | 4s | 1.108674 | .00017355 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .680379 | < R2 > | .544899 | < 1/R > | 2.133090 | < 1/R**2 > | 18.521539 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.125438 | .89386948 |
| 2 | 1s | 15.384733 | .10653990 |
| 3 | 2s | 9.542356 | .01807699 |
| 4 | 3s | 11.718941 | -.01493311 |
| 5 | 5s | 26.568996 | .00131957 |
| 6 | 4s | 66.723874 | -.00003453 |
| 7 | 5s | 8.652473 | .00093757 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142199 | < R2 > | .027161 | < 1/R > | 10.637016 | < 1/R**2 > | 228.499637 |
Total Energy= -149.68428436 a.u.
Kinetic Energy= 149.69721144 a.u.
Potential Energy= -299.38149580 a.u.
Virial Ratio = -1.99991365