(1s 2 2s 2 2p 2 5p 1 ) 2 D Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 2p | 2.687719 | .22802088 |
| 2 | 3p | 1.362367 | -2.16487161 |
| 3 | 4p | 1.137651 | 5.55374171 |
| 4 | 5p | 1.073427 | -3.95881628 |
| 5 | 2p | 6.375756 | .03616723 |
| 6 | 5p | 18.745089 | -.00064091 |
| 7 | 4p | .890474 | -.28823409 |
| 8 | 4p | 27.224080 | -.00019208 |
| ORB.ENERGY,a.u. | -.560100 | ||
| NORM | .999997 | < R > | 6.518606 | < R2 > | 47.747540 | < 1/R > | .213500 | < 1/R**2 > | .144562 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.024721 | 1.34952112 |
| 2 | 3p | 5.339697 | -.44116797 |
| 3 | 4p | 6.783000 | .08793056 |
| 4 | 5p | 1.351328 | .08799924 |
| 5 | 4p | 1.009432 | -.08942490 |
| 6 | 5p | 19.557219 | -.00169132 |
| 7 | 3p | 17.217655 | -.00203256 |
| 8 | 3p | 2.617127 | .00455141 |
| 9 | 4p | 16.968452 | .00060530 |
| 10 | 3p | 30.162571 | .00014646 |
| ORB.ENERGY,a.u. | -6.089100 | ||
| NORM | 1.000000 | < R > | .612021 | < R2 > | .465533 | < 1/R > | 2.092374 | < 1/R**2 > | 6.009481 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.006982 | .36331310 |
| 2 | 2s | 4.421641 | -.82562747 |
| 3 | 3s | 4.505755 | -.26828434 |
| 4 | 4s | 17.609039 | .00285741 |
| 5 | 3s | 10.861865 | .01760558 |
| 6 | 5s | 4.493508 | -.04182996 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .679735 | < R2 > | .543770 | < 1/R > | 2.135066 | < 1/R**2 > | 18.553213 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126149 | .89433461 |
| 2 | 1s | 15.405792 | .10604555 |
| 3 | 2s | 9.646381 | .01800893 |
| 4 | 3s | 11.789909 | -.01488544 |
| 5 | 5s | 26.563036 | .00133963 |
| 6 | 4s | 67.451010 | -.00003380 |
| 7 | 5s | 8.633698 | .00097175 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142190 | < R2 > | .027157 | < 1/R > | 10.637468 | < 1/R**2 > | 228.514868 |
Total Energy= -149.33548643 a.u.
Kinetic Energy= 149.33056948 a.u.
Potential Energy= -298.66605592 a.u.
Virial Ratio = -2.00003293