(1s 2 2s 1 4s 1 ) 1 S Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 3.614521 | .01736150 |
| 2 | 2s | .338973 | -1.09419156 |
| 3 | 3s | .427772 | 1.99276726 |
| 4 | 4s | .311308 | -1.46775524 |
| 5 | 5s | .934849 | .10428699 |
| 6 | 4s | 2.459727 | -.01048999 |
| 7 | 5s | 8.814685 | .00049088 |
| ORB.ENERGY,a.u. | -.045805 | ||
| NORM | .999999 | < R > | 16.463780 | < R2 > | 303.416289 | < 1/R > | .075349 | < 1/R**2 > | .014878 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.432725 | .25329885 |
| 2 | 2s | 1.337006 | -.79753873 |
| 3 | 3s | 1.280462 | -.33732340 |
| 4 | 4s | 3.277769 | .03736908 |
| 5 | 3s | 3.957352 | .06136199 |
| 6 | 5s | .609412 | -.06098254 |
| 7 | 4s | .527135 | .14764334 |
| 8 | 3s | .272833 | -.10258003 |
| 9 | 4s | 24.333964 | .00002265 |
| 10 | 2s | 17.328973 | .00005777 |
| ORB.ENERGY,a.u. | -.569120 | ||
| NORM | 1.000000 | < R > | 2.285229 | < R2 > | 6.735144 | < 1/R > | .613627 | < 1/R**2 > | 1.478978 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.376428 | .89153733 |
| 2 | 1s | 5.920285 | .12531727 |
| 3 | 2s | 1.200871 | .00131525 |
| 4 | 3s | 4.319719 | -.01450403 |
| 5 | 4s | 6.113919 | .00558866 |
| 6 | 5s | 9.685490 | .00181852 |
| 7 | 5s | 30.169905 | -.00005125 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .415014 | < R2 > | .233061 | < 1/R > | 3.682322 | < 1/R**2 > | 27.761385 |
Total Energy= -14.32409650 a.u.
Kinetic Energy= 14.32314444 a.u.
Potential Energy= -28.64724094 a.u.
Virial Ratio = -2.00006647