(1s 2 2s 2 2p 1 4p 1 ) 3 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 1.894285 | .21871891 |
| 2 | 3p | 1.026068 | -1.46990033 |
| 3 | 4p | .837725 | 1.81590060 |
| 4 | 5p | 4.029681 | -.01134219 |
| 5 | 2p | 5.586805 | .01354527 |
| 6 | 5p | 8.863520 | .00182934 |
| ORB.ENERGY,a.u. | -.343110 | ||
| NORM | .999999 | < R > | 6.268754 | < R2 > | 44.292815 | < 1/R > | .203254 | < 1/R**2 > | .077340 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.680563 | .93727701 |
| 2 | 2p | 6.370061 | .06263221 |
| 3 | 3p | 1.118962 | -.10802220 |
| 4 | 5p | 2.853703 | .03338484 |
| 5 | 4p | 6.761608 | .02844521 |
| 6 | 4p | .825412 | .13145024 |
| 7 | 3p | 24.790027 | .00004188 |
| ORB.ENERGY,a.u. | -2.619800 | ||
| NORM | 1.000000 | < R > | .920829 | < R2 > | 1.241563 | < 1/R > | 1.428867 | < 1/R**2 > | 2.810220 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.284978 | .28784896 |
| 2 | 2s | 2.424643 | -.76412688 |
| 3 | 3s | 4.066091 | -.28696212 |
| 4 | 4s | 14.776758 | .00206899 |
| 5 | 5s | 8.267066 | -.01957421 |
| 6 | 5s | 2.808572 | .02766472 |
| 7 | 4s | 28.374931 | .00003804 |
| 8 | 3s | .593920 | .00023112 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .984547 | < R2 > | 1.142267 | < 1/R > | 1.459086 | < 1/R**2 > | 8.621045 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.354656 | .73305428 |
| 2 | 1s | 10.722772 | .19848517 |
| 3 | 1s | 3.657872 | .00411828 |
| 4 | 2s | 7.715817 | .09853151 |
| 5 | 3s | 8.696730 | -.02315160 |
| 6 | 4s | 14.573752 | .00532690 |
| 7 | 5s | 28.737364 | .00013937 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197816 | < R2 > | .052620 | < 1/R > | 7.659800 | < 1/R**2 > | 118.792237 |
Total Energy= -71.43664782 a.u.
Kinetic Energy= 71.43779283 a.u.
Potential Energy= -142.87444065 a.u.
Virial Ratio = -1.99998397