(1s 2 2s 1 3p 1 ) 1 P B +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p | .699068 | -1.42676839 |
| 2 | 2p | .893300 | .76128168 |
| 3 | 2p | 2.548865 | .12580763 |
| 4 | 4p | 2.122359 | .03037297 |
| 5 | 3p | 4.935412 | -.00843629 |
| ORB.ENERGY,a.u. | -.244160 | ||
| NORM | 1.000002 | < R > | 5.536112 | < R2 > | 35.922584 | < 1/R > | .271853 | < 1/R**2 > | .176127 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.452371 | .27097627 |
| 2 | 2s | 1.603766 | -.75466943 |
| 3 | 3s | 2.153587 | -.28815776 |
| 4 | 4s | 5.891939 | .02269563 |
| 5 | 3s | 6.681478 | .01262314 |
| 6 | 5s | 1.934252 | -.02329469 |
| 7 | 5s | 22.832879 | -.00009872 |
| 8 | 3s | 63.859692 | .00000397 |
| ORB.ENERGY,a.u. | -1.323700 | ||
| NORM | 1.000000 | < R > | 1.671604 | < R2 > | 3.271786 | < 1/R > | .844682 | < 1/R**2 > | 2.863650 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.320526 | .88161570 |
| 2 | 1s | 7.257844 | .12827590 |
| 3 | 2s | 3.686783 | .01698151 |
| 4 | 3s | 4.847802 | -.02448982 |
| 5 | 4s | 6.927258 | .00344213 |
| 6 | 5s | 11.854288 | .00216127 |
| 7 | 5s | 37.514593 | -.00005045 |
| 8 | 4s | 2.285927 | .00135284 |
| ORB.ENERGY,a.u. | -7.998900 |
| NORM | 1.000000 | < R > | .325619 | < R2 > | .143153 | < 1/R > | 4.677318 | < 1/R**2 > | 44.586113 |
Total Energy= -23.63817458 a.u.
Kinetic Energy= 23.62015516 a.u.
Potential Energy= -47.25832974 a.u.
Virial Ratio = -2.00076288