(1s 1 3s 1 ) 3 S Na 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 6.910122 | .35052854 |
| 2 | 2s | 3.666904 | -1.75430535 |
| 3 | 3s | 3.361948 | 2.26852204 |
| 4 | 4s | 5.367575 | -.15325528 |
| 5 | 5s | 8.878093 | -.02043485 |
| 6 | 4s | 9.483214 | -.00740826 |
| 7 | 5s | 41.796586 | -.00006936 |
| 8 | 5s | 3.555121 | .00604112 |
| 9 | 3s | 1.704594 | -.00036033 |
| ORB.ENERGY,a.u. | -5.829400 | ||
| NORM | 1.000000 | < R > | 1.311832 | < R2 > | 1.953864 | < 1/R > | 1.127092 | < 1/R**2 > | 7.521721 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.741604 | .88920112 |
| 2 | 1s | 13.406930 | .10561621 |
| 3 | 2s | 13.861553 | .01065933 |
| 4 | 3s | 10.719693 | -.00542846 |
| 5 | 4s | 31.759186 | .00004762 |
| 6 | 5s | 11.765354 | .00038891 |
| ORB.ENERGY,a.u. | -59.607000 |
| NORM | 1.000000 | < R > | .136354 | < R2 > | .024792 | < 1/R > | 11.001384 | < 1/R**2 > | 242.061827 |
Total Energy= -66.19614617 a.u.
Kinetic Energy= 66.22335929 a.u.
Potential Energy= -132.41950546 a.u.
Virial Ratio = -1.99958907