Abstract
The structural features of model quasi-one-dimensional systems have been elucidated which favour the formation of the singlet or the ferromagnetic ground state. For this purpose the spin extended Hartree-Fock PPP calculation is employed taking into account electron correlation. The decisive role is played by the extent of the orbital degeneracy (or quasi-degeneracy) amplifying the electron correlation effects.
| Original language | English |
|---|---|
| Pages (from-to) | 775-782 |
| Number of pages | 8 |
| Journal | Molecular Physics |
| Volume | 69 |
| Issue number | 4 |
| DOIs | |
| State | Published - Mar 1990 |
| Externally published | Yes |