(1s 1 3p 1 ) 3 P B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 1.480572 | 1.18445218 |
| 2 | 3p | 1.256541 | -2.28035601 |
| 3 | 2p | 4.349376 | .02713649 |
| 4 | 4p | 1.292838 | .50004252 |
| 5 | 3p | 2.934178 | .03355326 |
| 6 | 5p | 9.769713 | -.00069159 |
| ORB.ENERGY,a.u. | -.913200 | ||
| NORM | 1.000000 | < R > | 3.050070 | < R2 > | 10.728652 | < 1/R > | .458869 | < 1/R**2 > | .433304 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.897549 | .75808935 |
| 2 | 1s | 5.102291 | .25572059 |
| 3 | 2s | 5.209250 | -.01508844 |
| 4 | 3s | 6.982798 | -.00058038 |
| 5 | 4s | 13.313809 | .00002158 |
| 6 | 5s | 6.715118 | .00033895 |
| 7 | 5s | 2.429199 | -.00043664 |
| ORB.ENERGY,a.u. | -12.024000 |
| NORM | 1.000000 | < R > | .300666 | < R2 > | .120607 | < 1/R > | 4.992124 | < 1/R**2 > | 49.873136 |
Total Energy= -13.40136981 a.u.
Kinetic Energy= 13.40893231 a.u.
Potential Energy= -26.81030212 a.u.
Virial Ratio = -1.99943601