(1s 2 2p 1 ) 2 P B 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 1.544957 | .96803817 |
| 2 | 2p | 2.981091 | .03647466 |
| 3 | 2p | 5.516217 | .01128822 |
| 4 | 3p | 4.632512 | -.00250870 |
| 5 | 5p | 1.571712 | .00150694 |
| 6 | 3p | 15.327692 | .00004317 |
| ORB.ENERGY,a.u. | -1.167600 | ||
| NORM | 1.000000 | < R > | 1.584628 | < R2 > | 3.038691 | < 1/R > | .800208 | < 1/R**2 > | .875912 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.199683 | .72678325 |
| 2 | 1s | 7.073858 | .22150371 |
| 3 | 2s | 5.749326 | .07895108 |
| 4 | 3s | 5.662527 | -.01462327 |
| 5 | 4s | 8.461854 | .00639469 |
| 6 | 5s | 32.420715 | -.00006765 |
| 7 | 5s | 2.816648 | .00047186 |
| ORB.ENERGY,a.u. | -9.702200 |
| NORM | 1.000000 | < R > | .325932 | < R2 > | .143465 | < 1/R > | 4.674840 | < 1/R**2 > | 44.556381 |
Total Energy= -23.15371880 a.u.
Kinetic Energy= 23.15371885 a.u.
Potential Energy= -46.30743765 a.u.
Virial Ratio = -2.00000000