(1s 2 2s 2 4p 1 ) 2 P P 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 6.541359 | .37261621 |
| 2 | 3p | 2.913885 | -.97372486 |
| 3 | 5p | 3.057665 | 1.61902852 |
| 4 | 4p | 4.522716 | -.41870555 |
| 5 | 5p | 7.990964 | .04763945 |
| 6 | 4p | 18.077650 | -.00488219 |
| 7 | 5p | 39.324341 | -.00068152 |
| 8 | 4p | 2.331894 | .10021470 |
| 9 | 4p | 59.762214 | -.00013930 |
| 10 | 5p | 1.080884 | -.00018927 |
| ORB.ENERGY,a.u. | -3.989600 | ||
| NORM | 1.000001 | < R > | 1.982703 | < R2 > | 4.456270 | < 1/R > | .725637 | < 1/R**2 > | 1.469711 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.619988 | .39655342 |
| 2 | 2s | 6.078805 | -.80274858 |
| 3 | 3s | 7.935786 | -.29305007 |
| 4 | 5s | 14.652455 | -.01427986 |
| 5 | 4s | 28.588929 | .00307213 |
| 6 | 5s | 5.673846 | .00214122 |
| 7 | 5s | 40.623744 | -.00053048 |
| 8 | 4s | 2.826263 | .00021659 |
| ORB.ENERGY,a.u. | -21.385000 | ||
| NORM | 1.000000 | < R > | .446849 | < R2 > | .233240 | < 1/R > | 3.286889 | < 1/R**2 > | 43.532641 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.195203 | .93815456 |
| 2 | 1s | 22.909213 | .05982562 |
| 3 | 2s | 15.851537 | .01957740 |
| 4 | 3s | 17.381728 | -.01583744 |
| 5 | 5s | 33.334646 | .00103387 |
| 6 | 4s | 75.604126 | -.00006620 |
| 7 | 5s | 13.391023 | -.00010633 |
| ORB.ENERGY,a.u. | -97.276000 |
| NORM | 1.000000 | < R > | .102745 | < R2 > | .014129 | < 1/R > | 14.668812 | < 1/R**2 > | 432.954104 |
Total Energy= -262.48646885 a.u.
Kinetic Energy= 262.48646917 a.u.
Potential Energy= -524.97293802 a.u.
Virial Ratio = -2.00000000