(1s 2 2s 2 2p 2 3p 1 ) 2 S O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | .946673 | -.97911186 |
| 2 | 2p | 2.083669 | .24283619 |
| 3 | 2p | 5.002608 | .05201061 |
| 4 | 4p | 5.290164 | .04234364 |
| 5 | 5p | 6.359366 | -.01082893 |
| 6 | 4p | .831449 | -.08728802 |
| 7 | 5p | .546298 | .00073390 |
| ORB.ENERGY,a.u. | -.351590 | ||
| NORM | 1.000000 | < R > | 3.942618 | < R2 > | 17.768958 | < 1/R > | .328865 | < 1/R**2 > | .230163 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.305867 | .77795992 |
| 2 | 2p | 3.907548 | .22204990 |
| 3 | 2p | 8.075757 | .01386301 |
| 4 | 3p | 1.546905 | .04182382 |
| 5 | 4p | 1.349337 | -.01632446 |
| 6 | 5p | 16.014614 | -.00092374 |
| 7 | 5p | 1.247110 | .00647101 |
| 8 | 4p | 44.435822 | .00001691 |
| 9 | 3p | 15.864205 | -.00039573 |
| ORB.ENERGY,a.u. | -1.678700 | ||
| NORM | 1.000000 | < R > | .989475 | < R2 > | 1.214226 | < 1/R > | 1.314530 | < 1/R**2 > | 2.420217 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.677185 | .31068837 |
| 2 | 2s | 2.920601 | -.84535309 |
| 3 | 3s | 2.482429 | -.26844172 |
| 4 | 4s | 9.593412 | .01894269 |
| 5 | 3s | 11.301195 | .00708731 |
| 6 | 5s | 1.812725 | -.00227437 |
| 7 | 5s | 19.103635 | .00075254 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.037462 | < R2 > | 1.278457 | < 1/R > | 1.384084 | < 1/R**2 > | 7.798821 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.331164 | .00424332 |
| 2 | 1s | 7.339977 | .73684363 |
| 3 | 1s | 10.791030 | .19542622 |
| 4 | 2s | 7.732266 | .09951615 |
| 5 | 3s | 8.875278 | -.02279654 |
| 6 | 4s | 15.080062 | .00462612 |
| 7 | 5s | 3.875991 | -.00072356 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198244 | < R2 > | .052905 | < 1/R > | 7.649786 | < 1/R**2 > | 118.557144 |
Total Energy= -73.42588659 a.u.
Kinetic Energy= 73.45176936 a.u.
Potential Energy= -146.87765595 a.u.
Virial Ratio = -1.99964762