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 |
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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 |