(1s 2 2s 2 2p 1 3s 1 ) 1 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 7.660870 | .12070469 |
| 2 | 2s | 2.399989 | -.66545046 |
| 3 | 3s | 1.640457 | 1.32087579 |
| 4 | 4s | 6.003546 | -.03236696 |
| 5 | 5s | 10.378327 | -.00690674 |
| 6 | 5s | 1.574845 | .00605552 |
| 7 | 3s | 28.340484 | -.00002421 |
| ORB.ENERGY,a.u. | -1.260200 | ||
| NORM | 1.000000 | < R > | 2.438106 | < R2 > | 6.675123 | < 1/R > | .546789 | < 1/R**2 > | 1.640899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.060871 | .88853676 |
| 2 | 2p | 5.280669 | .12690347 |
| 3 | 2p | 11.105737 | .00538515 |
| 4 | 3p | 1.741115 | -.00431125 |
| 5 | 4p | 2.479632 | .00682126 |
| 6 | 4p | 15.441670 | -.00076058 |
| ORB.ENERGY,a.u. | -3.667000 | ||
| NORM | 1.000000 | < R > | .769911 | < R2 > | .722969 | < 1/R > | 1.659178 | < 1/R**2 > | 3.779909 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.045481 | .31167339 |
| 2 | 2s | 2.950375 | -.78402939 |
| 3 | 3s | 4.606303 | -.27311546 |
| 4 | 4s | 15.976257 | .00289541 |
| 5 | 5s | 9.217706 | -.01612999 |
| 6 | 5s | 3.138725 | .01468965 |
| 7 | 4s | 31.467971 | .00007951 |
| 8 | 4s | 1.789003 | .01201347 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .837909 | < R2 > | .822891 | < 1/R > | 1.720379 | < 1/R**2 > | 11.977040 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.044573 | .85190065 |
| 2 | 1s | 12.617622 | .14447328 |
| 3 | 1s | 2.680725 | .00125541 |
| 4 | 2s | 10.946714 | .02090171 |
| 5 | 3s | 9.783624 | -.01588858 |
| 6 | 4s | 16.517078 | .00416241 |
| 7 | 5s | 2.346515 | -.00095648 |
| 8 | 5s | 64.536490 | -.00001850 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174880 | < R2 > | .041097 | < 1/R > | 8.655950 | < 1/R**2 > | 151.508058 |
Total Energy= -93.40375193 a.u.
Kinetic Energy= 93.38605894 a.u.
Potential Energy= -186.78981087 a.u.
Virial Ratio = -2.00018946