(1s 2 2s 1 4p 1 ) 1 P Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 2p | .651556 | .42459459 |
| 2 | 3p | .197060 | -2.36428885 |
| 3 | 4p | .228634 | 3.51333572 |
| 4 | 5p | .431674 | -.76906107 |
| 5 | 2p | 2.488403 | .02024547 |
| 6 | 4p | 1.401172 | -.06624974 |
| 7 | 5p | 6.332636 | -.00055731 |
| 8 | 3p | 4.791057 | -.00141066 |
| ORB.ENERGY,a.u. | -.031783 | ||
| NORM | 1.000006 | < R > | 22.230943 | < R2 > | 568.524745 | < 1/R > | .073738 | < 1/R**2 > | .020711 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.674373 | .22487392 |
| 2 | 2s | 1.133447 | -.73437118 |
| 3 | 3s | 1.680744 | -.27921330 |
| 4 | 4s | 4.482952 | .02962623 |
| 5 | 3s | 5.575425 | .01588065 |
| 6 | 5s | 1.580300 | -.03970158 |
| 7 | 4s | .747388 | -.00337101 |
| 8 | 5s | 13.172633 | -.00025818 |
| 9 | 2s | 14.814588 | .00013808 |
| ORB.ENERGY,a.u. | -.570310 | ||
| NORM | 1.000000 | < R > | 2.296685 | < R2 > | 6.188367 | < 1/R > | .603533 | < 1/R**2 > | 1.433053 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.375706 | .89162205 |
| 2 | 1s | 5.921799 | .12531935 |
| 3 | 2s | 1.242490 | .00167784 |
| 4 | 3s | 4.299488 | -.01477735 |
| 5 | 4s | 6.044993 | .00551635 |
| 6 | 5s | 9.662192 | .00188863 |
| 7 | 5s | 30.048386 | -.00005238 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .415102 | < R2 > | .233202 | < 1/R > | 3.681948 | < 1/R**2 > | 27.757539 |
Total Energy= -14.31559958 a.u.
Kinetic Energy= 14.30917901 a.u.
Potential Energy= -28.62477859 a.u.
Virial Ratio = -2.00044870