(1s 2 2s 2 2p 3 ) 4 S Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4021.
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 | 3.648301 | 1.25729955 |
| 2 | 3p | 4.502141 | -.29229352 |
| 3 | 2p | 9.855854 | .03027489 |
| 4 | 4p | 10.684473 | .00804178 |
| 5 | 5p | 23.221959 | -.00028865 |
| 6 | 5p | 3.375700 | .00606993 |
| ORB.ENERGY,a.u. | -5.085200 | ||
| NORM | 1.000000 | < R > | .644336 | < R2 > | .510933 | < 1/R > | 2.001101 | < 1/R**2 > | 5.548745 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.015103 | .35020998 |
| 2 | 2s | 4.349747 | -.82697422 |
| 3 | 3s | 4.058850 | -.27472060 |
| 4 | 4s | 17.681546 | .00262582 |
| 5 | 3s | 10.812850 | .01729354 |
| 6 | 5s | 4.310845 | -.03157959 |
| 7 | 5s | 3.123883 | -.00141622 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .703045 | < R2 > | .584168 | < 1/R > | 2.061981 | < 1/R**2 > | 17.380182 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.050525 | .90903029 |
| 2 | 1s | 15.933226 | .09799128 |
| 3 | 2s | 10.044376 | .01725923 |
| 4 | 3s | 14.983178 | -.01319754 |
| 5 | 5s | 32.811303 | .00047396 |
| 6 | 4s | 6.703118 | .00118752 |
| 7 | 5s | 15.427961 | -.00889658 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142449 | < R2 > | .027280 | < 1/R > | 10.625539 | < 1/R**2 > | 228.122812 |
Total Energy= -153.85529325 a.u.
Kinetic Energy= 153.85529787 a.u.
Potential Energy= -307.71059113 a.u.
Virial Ratio = -1.99999997