(1s 1 5p 1 ) 3 P O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 1.020446 | 6.23527983 |
| 2 | 3p | 1.713852 | -6.96680241 |
| 3 | 4p | 1.295409 | 8.64196398 |
| 4 | 5p | 1.360413 | -9.39879483 |
| 5 | 2p | 6.947349 | .00724610 |
| 6 | 5p | .690659 | -.01478378 |
| 7 | 5p | 22.122335 | .00006338 |
| 8 | 4p | 13.273685 | -.00053605 |
| 9 | 3p | .453793 | .00966108 |
| ORB.ENERGY,a.u. | -1.016000 | ||
| NORM | .999996 | < R > | 5.168520 | < R2 > | 30.079331 | < 1/R > | .283188 | < 1/R**2 > | .273332 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.865949 | .75745301 |
| 2 | 1s | 8.102567 | .25634637 |
| 3 | 2s | 7.999197 | -.01564470 |
| 4 | 3s | 9.863823 | -.00016378 |
| 5 | 4s | 5.634988 | -.00013341 |
| ORB.ENERGY,a.u. | -31.736000 |
| NORM | 1.000000 | < R > | .187555 | < R2 > | .046905 | < 1/R > | 7.998227 | < 1/R**2 > | 127.953507 |
Total Energy= -32.98553229 a.u.
Kinetic Energy= 32.98847181 a.u.
Potential Energy= -65.97400410 a.u.
Virial Ratio = -1.99991089