(1s 1 3p 1 ) 1 P O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 2p | 1.224451 | -.04737147 |
| 2 | 3p | 2.333991 | -2.17291357 |
| 3 | 2p | 2.362115 | 1.62962558 |
| 4 | 4p | 6.510246 | -.01035557 |
| 5 | 3p | 9.597939 | -.00748291 |
| 6 | 5p | 1.680965 | .01447932 |
| 7 | 3p | 36.897423 | .00001300 |
| ORB.ENERGY,a.u. | -2.735600 | ||
| NORM | 1.000000 | < R > | 1.795347 | < R2 > | 3.713902 | < 1/R > | .774065 | < 1/R**2 > | 1.198586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.870211 | .75742063 |
| 2 | 1s | 8.102369 | .25620288 |
| 3 | 2s | 8.050210 | -.01469067 |
| 4 | 3s | 8.673513 | -.00115866 |
| 5 | 4s | 3.392154 | .00031217 |
| ORB.ENERGY,a.u. | -31.180000 |
| NORM | 1.000000 | < R > | .187473 | < R2 > | .046867 | < 1/R > | 8.001387 | < 1/R**2 > | 128.041152 |
Total Energy= -34.74659384 a.u.
Kinetic Energy= 34.70741239 a.u.
Potential Energy= -69.45400622 a.u.
Virial Ratio = -2.00112891