(1s 2 2s 2 5p 1 ) 2 P B 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | .867233 | .12667120 |
| 2 | 3p | .266509 | -2.61894920 |
| 3 | 4p | .276929 | 4.14189109 |
| 4 | 5p | .214497 | -2.17350471 |
| 5 | 5p | 11.873933 | -.00015282 |
| 6 | 2p | 2.093629 | .04254878 |
| 7 | 3p | 3.415592 | -.00717183 |
| 8 | 4p | .137579 | .03535173 |
| ORB.ENERGY,a.u. | -.024197 | ||
| NORM | .999994 | < R > | 30.111055 | < R2 > | 1019.915254 | < 1/R > | .047798 | < 1/R**2 > | .009611 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.648421 | .23079966 |
| 2 | 2s | 1.303570 | -.76036682 |
| 3 | 3s | 2.267062 | -.26869213 |
| 4 | 4s | 4.383870 | .00482049 |
| 5 | 5s | 4.705414 | -.02872218 |
| 6 | 3s | 6.338762 | .00972407 |
| 7 | 5s | 20.034574 | -.00015356 |
| 8 | 5s | 1.496033 | .02259068 |
| 9 | 2s | 30.066289 | .00001662 |
| ORB.ENERGY,a.u. | -.798370 | ||
| NORM | 1.000000 | < R > | 1.799592 | < R2 > | 3.831870 | < 1/R > | .779543 | < 1/R**2 > | 2.409994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.207276 | .73074480 |
| 2 | 1s | 7.037958 | .22070618 |
| 3 | 2s | 5.687036 | .07642570 |
| 4 | 3s | 5.068047 | -.01397947 |
| 5 | 4s | 8.729923 | .00382560 |
| 6 | 5s | 20.139897 | -.00013137 |
| 7 | 3s | 16.786363 | -.00033474 |
| ORB.ENERGY,a.u. | -7.930700 |
| NORM | 1.000000 | < R > | .325280 | < R2 > | .142696 | < 1/R > | 4.679089 | < 1/R**2 > | 44.603922 |
Total Energy= -24.26177261 a.u.
Kinetic Energy= 24.26176999 a.u.
Potential Energy= -48.52354260 a.u.
Virial Ratio = -2.00000011