(1s 1 2p 1 ) 3 P B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2.223343 | .82937062 |
| 2 | 2p | 4.750634 | .02457505 |
| 3 | 3p | 2.088672 | .17271134 |
| 4 | 4p | 6.786390 | -.00170346 |
| 5 | 5p | 21.966289 | .00004703 |
| 6 | 4p | 1.287137 | -.00036685 |
| ORB.ENERGY,a.u. | -2.073600 | ||
| NORM | 1.000000 | < R > | 1.196142 | < R2 > | 1.727767 | < 1/R > | 1.055180 | < 1/R**2 > | 1.507076 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.838856 | .76584704 |
| 2 | 1s | 5.208590 | .24929184 |
| 3 | 2s | 4.970335 | -.02361852 |
| 4 | 3s | 4.346689 | .00991066 |
| 5 | 4s | 21.431582 | .00064992 |
| 6 | 5s | 26.928853 | -.00038232 |
| 7 | 5s | 3.150865 | .00044456 |
| 8 | 3s | 59.483911 | .00001398 |
| ORB.ENERGY,a.u. | -11.449000 |
| NORM | 1.000000 | < R > | .302933 | < R2 > | .122842 | < 1/R > | 4.967976 | < 1/R**2 > | 49.495561 |
Total Energy= -14.54121822 a.u.
Kinetic Energy= 14.56915327 a.u.
Potential Energy= -29.11037149 a.u.
Virial Ratio = -1.99808259