(1s 1 2p 1 ) 1 P B 3+
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 | 8.755162 | .00292132 |
| 2 | 2p | 1.950121 | .95785488 |
| 3 | 3p | 2.788466 | .06418682 |
| 4 | 4p | 3.244091 | -.01912709 |
| 5 | 5p | 27.041165 | .00005207 |
| 6 | 5p | 2.193187 | -.00596899 |
| ORB.ENERGY,a.u. | -1.976100 | ||
| NORM | 1.000000 | < R > | 1.271386 | < R2 > | 1.936172 | < 1/R > | .981280 | < 1/R**2 > | 1.282876 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.913719 | .75845618 |
| 2 | 1s | 5.091441 | .25575878 |
| 3 | 2s | 4.738666 | -.01641882 |
| 4 | 3s | 2.755588 | -.00164913 |
| 5 | 4s | 16.040689 | .00016709 |
| 6 | 5s | 48.164187 | .00000706 |
| 7 | 2s | 17.702880 | .00003193 |
| ORB.ENERGY,a.u. | -11.351000 |
| NORM | 1.000000 | < R > | .299184 | < R2 > | .119209 | < 1/R > | 5.009149 | < 1/R**2 > | 50.146863 |
Total Energy= -14.53521098 a.u.
Kinetic Energy= 14.47174710 a.u.
Potential Energy= -29.00695808 a.u.
Virial Ratio = -2.00438536