(1s 1 2p 1 ) 1 P Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 6.941385 | .00319063 |
| 2 | 2p | 1.451740 | .94228872 |
| 3 | 3p | 2.119388 | .09046933 |
| 4 | 4p | 2.511527 | -.02817960 |
| 5 | 5p | 21.676710 | .00005263 |
| 6 | 5p | 1.652563 | -.00829685 |
| ORB.ENERGY,a.u. | -1.108000 | ||
| NORM | 1.000000 | < R > | 1.701458 | < R2 > | 3.465411 | < 1/R > | .732539 | < 1/R**2 > | .714032 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.926661 | .75882082 |
| 2 | 1s | 4.087760 | .25540077 |
| 3 | 2s | 3.673910 | -.01666721 |
| 4 | 3s | 1.303955 | -.00422381 |
| 5 | 4s | 15.427099 | .00003431 |
| 6 | 5s | 1.718004 | .00298648 |
| ORB.ENERGY,a.u. | -7.108000 |
| NORM | 1.000000 | < R > | .373829 | < R2 > | .186065 | < 1/R > | 4.008198 | < 1/R**2 > | 32.104302 |
Total Energy= -9.14697716 a.u.
Kinetic Energy= 9.10618383 a.u.
Potential Energy= -18.25316099 a.u.
Virial Ratio = -2.00447974