(1s 2 2s 2 2p 2 4d 1 ) 2 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 2.946442 | .09275827 |
| 2 | 3d | 1.474789 | 1.22679085 |
| 3 | 4d | 1.270604 | -1.77421382 |
| 4 | 5d | 4.397014 | -.02058563 |
| 5 | 5d | 19.954105 | .00003797 |
| 6 | 4d | 8.343026 | .00369321 |
| 7 | 3d | 12.931914 | .00042064 |
| ORB.ENERGY,a.u. | -.815100 | ||
| NORM | 1.000000 | < R > | 3.987741 | < R2 > | 18.260411 | < 1/R > | .336366 | < 1/R**2 > | .191012 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.832909 | 1.24293720 |
| 2 | 3p | 4.656541 | -.26621767 |
| 3 | 2p | 10.542976 | .02215940 |
| 4 | 4p | 11.424176 | .00552219 |
| 5 | 5p | 23.037962 | -.00037426 |
| 6 | 5p | 2.787838 | .01529001 |
| 7 | 4p | 2.418844 | -.01662547 |
| ORB.ENERGY,a.u. | -5.962000 | ||
| NORM | 1.000000 | < R > | .613350 | < R2 > | .460035 | < 1/R > | 2.086563 | < 1/R**2 > | 5.981771 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.001694 | .36345077 |
| 2 | 2s | 4.426647 | -.82544698 |
| 3 | 3s | 4.495935 | -.26839277 |
| 4 | 4s | 17.515068 | .00278478 |
| 5 | 3s | 10.911333 | .01775566 |
| 6 | 5s | 4.486240 | -.04281086 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .680166 | < R2 > | .544586 | < 1/R > | 2.133929 | < 1/R**2 > | 18.535364 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126908 | .89440363 |
| 2 | 1s | 15.408482 | .10595327 |
| 3 | 2s | 9.677094 | .01798543 |
| 4 | 3s | 11.808786 | -.01486534 |
| 5 | 5s | 26.559522 | .00135865 |
| 6 | 4s | 68.223096 | -.00003306 |
| 7 | 5s | 8.568242 | .00097291 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142180 | < R2 > | .027153 | < 1/R > | 10.637991 | < 1/R**2 > | 228.532596 |
Total Energy= -149.58315829 a.u.
Kinetic Energy= 149.58570027 a.u.
Potential Energy= -299.16885856 a.u.
Virial Ratio = -1.99998301