(1s 1 3s 1 ) 1 S B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 2.765326 | .17763579 |
| 2 | 2s | 1.402455 | -1.36394322 |
| 3 | 3s | 1.425136 | 2.50740307 |
| 4 | 4s | 2.957475 | -.37702872 |
| 5 | 5s | 2.321566 | -.37320895 |
| 6 | 3s | 3.282263 | -.09443369 |
| 7 | 5s | 6.257667 | -.01359080 |
| 8 | 4s | 1.109118 | .09731051 |
| 9 | 5s | .997292 | -.02197423 |
| 10 | 2s | 39.877113 | .00000299 |
| 11 | 3s | .560540 | .00289927 |
| ORB.ENERGY,a.u. | -.944680 | ||
| NORM | .999999 | < R > | 3.185259 | < R2 > | 11.514745 | < 1/R > | .411703 | < 1/R**2 > | .456117 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 1.017682 | .15315212 |
| 2 | 1s | 5.015731 | .99229670 |
| 3 | 2s | 2.201781 | -.09939425 |
| 4 | 3s | 2.002717 | -.06711437 |
| 5 | 3s | 3.676148 | -.01200622 |
| 6 | 1s | 3.114411 | -.00381609 |
| 7 | 4s | 1.499330 | .05082946 |
| 8 | 5s | 7.369201 | -.00062280 |
| ORB.ENERGY,a.u. | -12.056000 |
| NORM | 1.000000 | < R > | .306878 | < R2 > | .167134 | < 1/R > | 5.046194 | < 1/R**2 > | 50.792745 |
Total Energy= -13.44906356 a.u.
Kinetic Energy= 13.44027036 a.u.
Potential Energy= -26.88933392 a.u.
Virial Ratio = -2.00065424