(1s 2 3p 1 ) 2 P B 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | .982863 | 1.74193142 |
| 2 | 3p | 1.021852 | -2.34379996 |
| 3 | 2p | 2.723588 | .02170841 |
| 4 | 3p | 1.421915 | -.03634687 |
| 5 | 2p | 5.569883 | .00727354 |
| 6 | 5p | 1.006259 | -.01070650 |
| ORB.ENERGY,a.u. | -.513150 | ||
| NORM | .999999 | < R > | 4.047116 | < R2 > | 18.907875 | < 1/R > | .347839 | < 1/R**2 > | .253559 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.221873 | .73060276 |
| 2 | 1s | 7.066294 | .21835570 |
| 3 | 2s | 5.760591 | .07741829 |
| 4 | 3s | 5.212292 | -.01389507 |
| 5 | 4s | 7.914590 | .00587270 |
| 6 | 5s | 24.215040 | -.00023105 |
| 7 | 5s | 3.621916 | -.00052824 |
| 8 | 3s | 23.881456 | -.00013803 |
| ORB.ENERGY,a.u. | -9.667500 |
| NORM | 1.000000 | < R > | .324873 | < R2 > | .142289 | < 1/R > | 4.683946 | < 1/R**2 > | 44.687502 |
Total Energy= -22.49935458 a.u.
Kinetic Energy= 22.49935555 a.u.
Potential Energy= -44.99871014 a.u.
Virial Ratio = -1.99999996