(1s 2 2s 2 2p 2 5p 1 ) 4 S Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 2.715744 | .22803802 |
| 2 | 3p | 1.387443 | -2.07372197 |
| 3 | 4p | 1.147146 | 5.28276624 |
| 4 | 5p | 1.073585 | -3.76394938 |
| 5 | 2p | 6.400717 | .03184396 |
| 6 | 5p | 17.123648 | -.00097714 |
| 7 | 4p | .902876 | -.30111320 |
| 8 | 4p | 25.150896 | -.00029467 |
| ORB.ENERGY,a.u. | -.562440 | ||
| NORM | .999997 | < R > | 6.493311 | < R2 > | 47.379066 | < 1/R > | .212933 | < 1/R**2 > | .137716 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.021203 | 1.35342017 |
| 2 | 3p | 5.339775 | -.44106374 |
| 3 | 4p | 6.791650 | .08590164 |
| 4 | 5p | 1.363393 | .11352003 |
| 5 | 4p | 1.011011 | -.11474871 |
| 6 | 5p | 20.278461 | -.00083662 |
| 7 | 3p | 14.899259 | -.00243965 |
| 8 | 3p | 3.114701 | .00139013 |
| 9 | 4p | 55.969386 | .00001545 |
| 10 | 5p | .625394 | -.00043010 |
| ORB.ENERGY,a.u. | -6.091400 | ||
| NORM | 1.000000 | < R > | .612706 | < R2 > | .473389 | < 1/R > | 2.092870 | < 1/R**2 > | 6.011929 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.007136 | .36330462 |
| 2 | 2s | 4.421506 | -.82563937 |
| 3 | 3s | 4.505613 | -.26827737 |
| 4 | 4s | 17.606228 | .00285619 |
| 5 | 3s | 10.864826 | .01759229 |
| 6 | 5s | 4.493153 | -.04179425 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .679733 | < R2 > | .543766 | < 1/R > | 2.135071 | < 1/R**2 > | 18.553284 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126155 | .89432938 |
| 2 | 1s | 15.405405 | .10605252 |
| 3 | 2s | 9.644793 | .01800798 |
| 4 | 3s | 11.788737 | -.01488659 |
| 5 | 5s | 26.563879 | .00133972 |
| 6 | 4s | 67.456781 | -.00003379 |
| 7 | 5s | 8.633727 | .00097132 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142190 | < R2 > | .027157 | < 1/R > | 10.637480 | < 1/R**2 > | 228.515270 |
Total Energy= -149.33479943 a.u.
Kinetic Energy= 149.33290939 a.u.
Potential Energy= -298.66770882 a.u.
Virial Ratio = -2.00001266