(1s 2 2s 2 2p 1 3p 1 ) 1 S O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p | 1.155674 | -1.14211319 |
| 2 | 2p | 1.923153 | .25078538 |
| 3 | 2p | 6.643094 | .00666657 |
| 4 | 4p | 2.378631 | .02739057 |
| 5 | 5p | 5.444917 | -.01491394 |
| 6 | 4p | .652597 | -.00051653 |
| ORB.ENERGY,a.u. | -.637690 | ||
| NORM | 1.000000 | < R > | 3.296896 | < R2 > | 12.093266 | < 1/R > | .344038 | < 1/R**2 > | .149941 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.675023 | .96860226 |
| 2 | 2p | 6.345570 | .06614299 |
| 3 | 3p | .974256 | -.21012739 |
| 4 | 5p | 1.124670 | .05744110 |
| 5 | 5p | 7.822720 | .02297816 |
| 6 | 5p | 17.630122 | -.00058506 |
| 7 | 4p | 10.176502 | .00660525 |
| 8 | 4p | 53.778451 | .00000475 |
| ORB.ENERGY,a.u. | -2.431100 | ||
| NORM | 1.000000 | < R > | .881293 | < R2 > | 1.041290 | < 1/R > | 1.469444 | < 1/R**2 > | 2.946120 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.282335 | .28727940 |
| 2 | 2s | 2.429726 | -.76096795 |
| 3 | 3s | 4.061489 | -.28616279 |
| 4 | 4s | 14.710057 | .00218599 |
| 5 | 5s | 8.254529 | -.01893379 |
| 6 | 5s | 2.730954 | .03144456 |
| 7 | 4s | 29.245391 | .00003985 |
| 8 | 4s | 2.077488 | -.01031597 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .987239 | < R2 > | 1.149422 | < 1/R > | 1.455396 | < 1/R**2 > | 8.580895 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.353845 | .73291468 |
| 2 | 1s | 10.720894 | .19856316 |
| 3 | 1s | 3.710553 | .00433901 |
| 4 | 2s | 7.710650 | .09841777 |
| 5 | 3s | 8.706797 | -.02317685 |
| 6 | 4s | 14.601043 | .00534553 |
| 7 | 5s | 29.132660 | .00012895 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197850 | < R2 > | .052641 | < 1/R > | 7.658954 | < 1/R**2 > | 118.771983 |
Total Energy= -71.75776477 a.u.
Kinetic Energy= 71.70816892 a.u.
Potential Energy= -143.46593369 a.u.
Virial Ratio = -2.00069163