(1s 1 2s 1 ) 3 S Na 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 2s- electron | |
| 1 | 1s | 8.655903 | .46387336 |
| 2 | 2s | 4.970218 | -.87065680 |
| 3 | 3s | 6.133501 | -.29158513 |
| 4 | 4s | 13.830774 | .00459881 |
| 5 | 5s | 6.245122 | -.01065931 |
| ORB.ENERGY,a.u. | -13.226000 | ||
| NORM | 1.000000 | < R > | .574729 | < R2 > | .384801 | < 1/R > | 2.555134 | < 1/R**2 > | 25.864629 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.747373 | .88916033 |
| 2 | 1s | 13.406930 | .10555599 |
| 3 | 2s | 14.096024 | .01068270 |
| 4 | 3s | 11.464938 | -.00514164 |
| 5 | 4s | 29.600730 | .00018048 |
| 6 | 5s | 12.147330 | .00019412 |
| ORB.ENERGY,a.u. | -58.601000 |
| NORM | 1.000000 | < R > | .136291 | < R2 > | .024773 | < 1/R > | 11.006873 | < 1/R**2 > | 242.283318 |
Total Energy= -73.49966946 a.u.
Kinetic Energy= 73.60374232 a.u.
Potential Energy= -147.10341178 a.u.
Virial Ratio = -1.99858604