(1s 2 2s 2 2p 5 4p 1 ) 3 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 6.944848 | .17336513 |
| 2 | 3p | 1.300637 | 2.04516489 |
| 3 | 4p | 2.600567 | -1.36604204 |
| 4 | 5p | 4.772452 | -.16342573 |
| 5 | 3p | 11.852240 | -.00700802 |
| 6 | 5p | 1.280257 | -.34781252 |
| 7 | 4p | .919557 | .16916098 |
| 8 | 5p | 20.977112 | .00044342 |
| 9 | 3p | .698578 | -.07576340 |
| 10 | 5p | .491480 | .00108025 |
| ORB.ENERGY,a.u. | -1.370000 | ||
| NORM | 1.000000 | < R > | 3.143270 | < R2 > | 11.172313 | < 1/R > | .445479 | < 1/R**2 > | .588490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.852613 | 1.22940057 |
| 2 | 3p | 5.726502 | -.30810095 |
| 3 | 2p | 11.236132 | .07689045 |
| 4 | 5p | 35.257608 | -.00013049 |
| 5 | 4p | 13.433581 | .01262182 |
| 6 | 5p | 2.558607 | .00034429 |
| ORB.ENERGY,a.u. | -9.174300 | ||
| NORM | 1.000000 | < R > | .459429 | < R2 > | .260731 | < 1/R > | 2.816893 | < 1/R**2 > | 11.024962 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.143086 | .37189955 |
| 2 | 2s | 6.142441 | -.83399350 |
| 3 | 3s | 5.427541 | -.30273083 |
| 4 | 4s | 18.430742 | .00417129 |
| 5 | 3s | 17.357982 | .00677654 |
| 6 | 5s | 36.441088 | .00042691 |
| 7 | 5s | 4.762874 | -.00314265 |
| 8 | 4s | 2.592497 | .00048734 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501637 | < R2 > | .297495 | < 1/R > | 2.909893 | < 1/R**2 > | 34.759608 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204052 | .92331062 |
| 2 | 1s | 20.991223 | .07298761 |
| 3 | 2s | 8.537731 | .02103357 |
| 4 | 3s | 10.643648 | -.02133096 |
| 5 | 4s | 13.384436 | .01070780 |
| 6 | 5s | 35.400072 | .00078678 |
| 7 | 4s | 81.734997 | -.00004406 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103679 | < R2 > | .014444 | < 1/R > | 14.584565 | < 1/R**2 > | 429.106507 |
Total Energy= -327.69120859 a.u.
Kinetic Energy= 327.68571452 a.u.
Potential Energy= -655.37692311 a.u.
Virial Ratio = -2.00001677