(1s 2 2s 1 2p 1 ) 1 P Be 0
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 | .452220 | 1.00021192 |
| 2 | 2p | 1.776377 | .13162875 |
| 3 | 3p | 3.186993 | -.01408316 |
| 4 | 4p | .461086 | -.07972937 |
| 5 | 5p | .453315 | .01688044 |
| 6 | 5p | 9.712980 | -.00025664 |
| 7 | 3p | 37.693373 | .00000242 |
| ORB.ENERGY,a.u. | -.117340 | ||
| NORM | 1.000000 | < R > | 5.025522 | < R2 > | 31.238088 | < 1/R > | .267973 | < 1/R**2 > | .112147 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.829755 | .21084655 |
| 2 | 2s | .913405 | -.56745859 |
| 3 | 3s | 1.641520 | -.45290484 |
| 4 | 4s | 6.425417 | .01065502 |
| 5 | 5s | 1.067117 | .06306170 |
| 6 | 5s | 8.409787 | -.00283227 |
| 7 | 4s | 2.883071 | -.05396909 |
| 8 | 4s | .631074 | .00616209 |
| ORB.ENERGY,a.u. | -.263960 | ||
| NORM | 1.000000 | < R > | 2.310155 | < R2 > | 6.252524 | < 1/R > | .600361 | < 1/R**2 > | 1.425608 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.374181 | .89176507 |
| 2 | 1s | 5.926766 | .12513023 |
| 3 | 2s | 1.180068 | .00315176 |
| 4 | 3s | 4.356349 | -.01472956 |
| 5 | 4s | 6.213508 | .00531945 |
| 6 | 5s | 9.595788 | .00171723 |
| 7 | 5s | 29.396185 | -.00005643 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .415564 | < R2 > | .233941 | < 1/R > | 3.679846 | < 1/R**2 > | 27.734640 |
Total Energy= -14.44382263 a.u.
Kinetic Energy= 14.39473735 a.u.
Potential Energy= -28.83855998 a.u.
Virial Ratio = -2.00340995