(1s 2 2s 1 5p 1 ) 1 P B +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 5p- electron | |
| 1 | 2p | .412369 | 2.02079036 |
| 2 | 3p | .538287 | -4.12203989 |
| 3 | 4p | .429040 | 6.00921695 |
| 4 | 5p | .410006 | -4.73340353 |
| 5 | 2p | 2.354033 | .07236301 |
| 6 | 5p | 2.345083 | .02495113 |
| 7 | 3p | 4.688382 | -.00514824 |
| ORB.ENERGY,a.u. | -.084950 | ||
| NORM | .999994 | < R > | 17.120661 | < R2 > | 330.924893 | < 1/R > | .089235 | < 1/R**2 > | .033771 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.449396 | .27623994 |
| 2 | 2s | 1.618522 | -.74977930 |
| 3 | 3s | 2.101662 | -.28361464 |
| 4 | 4s | 6.210727 | .01031801 |
| 5 | 3s | 5.942967 | .01625458 |
| 6 | 5s | 3.849206 | -.02379862 |
| 7 | 5s | 26.492603 | -.00006871 |
| ORB.ENERGY,a.u. | -1.193700 | ||
| NORM | 1.000000 | < R > | 1.641634 | < R2 > | 3.149083 | < 1/R > | .860243 | < 1/R**2 > | 2.962073 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.337947 | .87831516 |
| 2 | 1s | 7.149597 | .13049700 |
| 3 | 2s | 2.624929 | .01791826 |
| 4 | 3s | 3.502389 | -.03297186 |
| 5 | 4s | 4.031740 | .01305062 |
| 6 | 5s | 11.332133 | .00263837 |
| 7 | 3s | 19.075142 | -.00021441 |
| ORB.ENERGY,a.u. | -7.998900 |
| NORM | 1.000000 | < R > | .325284 | < R2 > | .142760 | < 1/R > | 4.679996 | < 1/R**2 > | 44.623793 |
Total Energy= -23.46350003 a.u.
Kinetic Energy= 23.46094322 a.u.
Potential Energy= -46.92444325 a.u.
Virial Ratio = -2.00010898