(1s 2 3p 1 ) 2 P Be +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | .642506 | 1.87429965 |
| 2 | 3p | .684664 | -2.45738947 |
| 3 | 2p | 2.135886 | .01907745 |
| 4 | 3p | .976945 | -.04264653 |
| 5 | 2p | 4.351532 | .00663871 |
| 6 | 5p | .700473 | -.03295432 |
| ORB.ENERGY,a.u. | -.228430 | ||
| NORM | 1.000000 | < R > | 6.056904 | < R2 > | 42.371781 | < 1/R > | .233192 | < 1/R**2 > | .115247 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.248691 | .75175353 |
| 2 | 1s | 5.895055 | .20544419 |
| 3 | 2s | 5.114706 | .06566289 |
| 4 | 3s | 3.382631 | -.01024394 |
| 5 | 4s | 6.700419 | .00710731 |
| 6 | 5s | 23.205964 | -.00009461 |
| 7 | 3s | 66.559298 | .00000318 |
| ORB.ENERGY,a.u. | -5.326500 |
| NORM | 1.000000 | < R > | .414578 | < R2 > | .232437 | < 1/R > | 3.685088 | < 1/R**2 > | 27.797612 |
Total Energy= -13.83972355 a.u.
Kinetic Energy= 13.83972539 a.u.
Potential Energy= -27.67944894 a.u.
Virial Ratio = -1.99999987