(1s 1 2p 1 ) 1 P O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 2p- electron | |
| 1 | 2p | 14.245509 | .00189423 |
| 2 | 2p | 3.461165 | .97711788 |
| 3 | 3p | 4.669787 | .02615729 |
| 4 | 4p | 5.330113 | -.00327492 |
| 5 | 5p | 19.723310 | -.00034982 |
| 6 | 4p | 2.845122 | -.00058666 |
| ORB.ENERGY,a.u. | -6.097100 | ||
| NORM | 1.000000 | < R > | .721990 | < R2 > | .624930 | < 1/R > | 1.729962 | < 1/R**2 > | 3.991601 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.872005 | .75805576 |
| 2 | 1s | 8.102343 | .25636513 |
| 3 | 2s | 7.813702 | -.01569468 |
| 4 | 3s | 4.911852 | -.00127413 |
| 5 | 4s | 12.814421 | -.00065673 |
| ORB.ENERGY,a.u. | -30.097000 |
| NORM | 1.000000 | < R > | .187158 | < R2 > | .046672 | < 1/R > | 8.010228 | < 1/R**2 > | 128.267129 |
Total Energy= -38.20372574 a.u.
Kinetic Energy= 38.06756049 a.u.
Potential Energy= -76.27128624 a.u.
Virial Ratio = -2.00357694