(1s 2 2s 2 2p 3 ) 2 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 3.588167 | 1.26315960 |
| 2 | 3p | 4.474655 | -.30612485 |
| 3 | 2p | 9.403631 | .03715031 |
| 4 | 4p | 10.474175 | .01025769 |
| 5 | 5p | 23.660905 | -.00025308 |
| 6 | 5p | 3.389392 | .00876722 |
| ORB.ENERGY,a.u. | -4.689800 | ||
| NORM | 1.000000 | < R > | .653925 | < R2 > | .528272 | < 1/R > | 1.980560 | < 1/R**2 > | 5.460647 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.005510 | .35128025 |
| 2 | 2s | 4.358495 | -.82801760 |
| 3 | 3s | 4.059497 | -.27511420 |
| 4 | 4s | 17.666627 | .00263663 |
| 5 | 3s | 10.799472 | .01758621 |
| 6 | 5s | 4.315334 | -.03120514 |
| 7 | 5s | 3.118483 | -.00138572 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .702178 | < R2 > | .582710 | < 1/R > | 2.064840 | < 1/R**2 > | 17.426505 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.063068 | .90611280 |
| 2 | 1s | 15.774856 | .10013550 |
| 3 | 2s | 9.420390 | .01773181 |
| 4 | 3s | 14.575002 | -.01297864 |
| 5 | 5s | 31.992123 | .00057803 |
| 6 | 4s | 6.281397 | .00090460 |
| 7 | 5s | 15.029206 | -.00848384 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142429 | < R2 > | .027271 | < 1/R > | 10.626483 | < 1/R**2 > | 228.153966 |
Total Energy= -153.85171303 a.u.
Kinetic Energy= 153.46017982 a.u.
Potential Energy= -307.31189285 a.u.
Virial Ratio = -2.00255137