(1s 2 2s 2 2p 1 5p 1 ) 1 S O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 1.438768 | .20668887 |
| 2 | 3p | .895532 | -1.69889588 |
| 3 | 4p | .653142 | 5.60193952 |
| 4 | 5p | .640405 | -3.87661355 |
| 5 | 2p | 5.200516 | .01306974 |
| 6 | 5p | 3.542582 | .00370711 |
| 7 | 5p | .662916 | -.97847365 |
| 8 | 4p | 6.684187 | .00318636 |
| ORB.ENERGY,a.u. | -.202710 | ||
| NORM | .999992 | < R > | 10.776367 | < R2 > | 130.393837 | < 1/R > | .122945 | < 1/R**2 > | .033636 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.607936 | .88899582 |
| 2 | 2p | 4.756913 | .15247267 |
| 3 | 3p | .478013 | -.29504471 |
| 4 | 5p | .912255 | .17612173 |
| 5 | 3p | 7.342185 | -.01985934 |
| 6 | 4p | 2.550399 | .00794176 |
| 7 | 4p | .578220 | .11289494 |
| 8 | 5p | 18.942264 | -.00034519 |
| 9 | 5p | .397212 | .00644921 |
| 10 | 3p | 54.841391 | .00000552 |
| ORB.ENERGY,a.u. | -2.689900 | ||
| NORM | 1.000000 | < R > | .918554 | < R2 > | 1.263794 | < 1/R > | 1.420994 | < 1/R**2 > | 2.780543 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.289011 | .28791408 |
| 2 | 2s | 2.416956 | -.76618897 |
| 3 | 3s | 4.068816 | -.28661452 |
| 4 | 4s | 14.151026 | .00094158 |
| 5 | 5s | 8.258020 | -.02082653 |
| 6 | 5s | 2.818685 | .03212045 |
| 7 | 4s | 16.282330 | .00085873 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .983466 | < R2 > | 1.139492 | < 1/R > | 1.460625 | < 1/R**2 > | 8.638001 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.354957 | .73307192 |
| 2 | 1s | 10.722858 | .19849437 |
| 3 | 1s | 3.627963 | .00404037 |
| 4 | 2s | 7.716623 | .09858723 |
| 5 | 3s | 8.688176 | -.02314707 |
| 6 | 4s | 14.561964 | .00530108 |
| 7 | 5s | 28.467061 | .00014527 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197803 | < R2 > | .052612 | < 1/R > | 7.660108 | < 1/R**2 > | 118.799620 |
Total Energy= -71.30333003 a.u.
Kinetic Energy= 71.29740277 a.u.
Potential Energy= -142.60073280 a.u.
Virial Ratio = -2.00008313