(1s 2 2s 2 2p 2 5p 1 ) 4 D Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 2.967926 | .20378591 |
| 2 | 3p | 1.465562 | -1.73004756 |
| 3 | 4p | 1.159175 | 4.77593144 |
| 4 | 5p | 1.082440 | -3.48792265 |
| 5 | 2p | 5.973706 | .05271729 |
| 6 | 5p | 16.658286 | -.00133716 |
| 7 | 4p | .931322 | -.38629759 |
| 8 | 4p | 24.312896 | -.00044449 |
| ORB.ENERGY,a.u. | -.570970 | ||
| NORM | 1.000001 | < R > | 6.394774 | < R2 > | 45.960297 | < 1/R > | .223716 | < 1/R**2 > | .181763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.874010 | 1.22169245 |
| 2 | 3p | 4.728316 | -.24464815 |
| 3 | 2p | 11.033510 | .01909438 |
| 4 | 4p | 12.767741 | .00740878 |
| 5 | 5p | 18.487592 | -.00164030 |
| 6 | 5p | 3.563859 | .00233902 |
| 7 | 4p | 50.540071 | .00003187 |
| 8 | 3p | .300509 | .00009202 |
| ORB.ENERGY,a.u. | -6.100000 | ||
| NORM | 1.000000 | < R > | .612509 | < R2 > | .458616 | < 1/R > | 2.088716 | < 1/R**2 > | 5.992234 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.005125 | .36341729 |
| 2 | 2s | 4.423382 | -.82560397 |
| 3 | 3s | 4.505725 | -.26827251 |
| 4 | 4s | 17.608897 | .00284007 |
| 5 | 3s | 10.852974 | .01775221 |
| 6 | 5s | 4.499522 | -.04217787 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .679752 | < R2 > | .543798 | < 1/R > | 2.135016 | < 1/R**2 > | 18.552409 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126013 | .89436045 |
| 2 | 1s | 15.407762 | .10602052 |
| 3 | 2s | 9.658188 | .01799870 |
| 4 | 3s | 11.798169 | -.01487925 |
| 5 | 5s | 26.560470 | .00134106 |
| 6 | 4s | 67.505647 | -.00003378 |
| 7 | 5s | 8.636378 | .00097349 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142190 | < R2 > | .027157 | < 1/R > | 10.637460 | < 1/R**2 > | 228.514543 |
Total Energy= -149.33552763 a.u.
Kinetic Energy= 149.34141538 a.u.
Potential Energy= -298.67694301 a.u.
Virial Ratio = -1.99996058