(1s 2 2p 1 ) 2 P C 3+
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 | 2.056201 | .97159248 |
| 2 | 2p | 3.954816 | .03267505 |
| 3 | 2p | 6.737471 | .00979147 |
| 4 | 3p | 5.981694 | -.00364244 |
| 5 | 5p | 2.180397 | .00204186 |
| 6 | 5p | 30.496717 | .00002826 |
| ORB.ENERGY,a.u. | -2.068900 | ||
| NORM | 1.000000 | < R > | 1.194660 | < R2 > | 1.725113 | < 1/R > | 1.058982 | < 1/R**2 > | 1.526695 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.203740 | .71238470 |
| 2 | 1s | 8.184783 | .23063981 |
| 3 | 2s | 6.485940 | .08166238 |
| 4 | 3s | 7.179779 | -.01354526 |
| 5 | 4s | 10.762338 | .00766299 |
| 6 | 5s | 12.934231 | -.00091202 |
| 7 | 5s | 3.979372 | .00060061 |
| ORB.ENERGY,a.u. | -13.216000 |
| NORM | 1.000000 | < R > | .267960 | < R2 > | .096769 | < 1/R > | 5.671607 | < 1/R**2 > | 65.373514 |
Total Energy= -34.42988264 a.u.
Kinetic Energy= 34.42988264 a.u.
Potential Energy= -68.85976527 a.u.
Virial Ratio = -2.00000000